<?xml version="1.0" encoding="UTF-8"?>
<!-- edited with XML Spy v4.4 U (http://www.xmlspy.com) by Robert D. Chirico (U. S. Department of Commerce) -->
<!-- From http://trc.nist.gov/ThermoML.xsd  fetched 2003-06-25  -->
<xsd:schema xmlns:xsd="http://www.w3.org/2001/XMLSchema" elementFormDefault="qualified" attributeFormDefault="unqualified">
	<xsd:annotation>
		<xsd:documentation>
			Data report
		</xsd:documentation>
	</xsd:annotation>
	<xsd:element name="DataReport" type="DataReport"/>
	<xsd:complexType name="DataReport">
		<xsd:annotation>
			<xsd:documentation>TRCReport complex type</xsd:documentation>
		</xsd:annotation>
		<xsd:sequence>
			<xsd:element ref="Citation"/>
			<xsd:element ref="Compound" minOccurs="0" maxOccurs="unbounded"/>
			<xsd:element ref="PureOrMixtureData" minOccurs="0" maxOccurs="unbounded"/>
			<xsd:element ref="ReactionData" minOccurs="0" maxOccurs="unbounded"/>
		</xsd:sequence>
	</xsd:complexType>
	<!--	 
	
	-->
	<xsd:simpleType name="ECitationType">
		<xsd:annotation>
			<xsd:documentation>Type of citation</xsd:documentation>
		</xsd:annotation>
		<xsd:restriction base="xsd:string">
			<xsd:enumeration value="book"/>
			<xsd:enumeration value="journal"/>
			<xsd:enumeration value="report"/>
			<xsd:enumeration value="patent"/>
			<xsd:enumeration value="thesis"/>
			<xsd:enumeration value="conferenceProceedings"/>
			<xsd:enumeration value="archivedDocument"/>
			<xsd:enumeration value="personalCorrespondence"/>
			<xsd:enumeration value="publishedTranslation"/>
			<xsd:enumeration value="unspecified"/>
		</xsd:restriction>
	</xsd:simpleType>
	<!--	 
	
	-->
	<xsd:simpleType name="ECitationSourceType">
		<xsd:annotation>
			<xsd:documentation>The status type of the citation</xsd:documentation>
		</xsd:annotation>
		<xsd:restriction base="xsd:string">
			<xsd:enumeration value="Original"/>
			<xsd:enumeration value="BiblioBulChemThermo"/>
			<xsd:enumeration value="TRCGeneral"/>
			<xsd:enumeration value="TRCGeneralChecked"/>
			<xsd:enumeration value="TRCDataCard"/>
			<xsd:enumeration value="ChemicalAbstracts"/>
			<xsd:enumeration value="Other"/>
		</xsd:restriction>
	</xsd:simpleType>
	<!--	 
	
	-->
	<xsd:simpleType name="ECitationDataType">
		<xsd:annotation>
			<xsd:documentation>The data type of the citation</xsd:documentation>
		</xsd:annotation>
		<xsd:restriction base="xsd:string">
			<xsd:enumeration value="ReferenceOnly"/>
			<xsd:enumeration value="SomeNumerical"/>
			<xsd:enumeration value="PureOnly"/>
			<xsd:enumeration value="Pure+SomeMixture"/>
			<xsd:enumeration value="MixtureOnly"/>
			<xsd:enumeration value="All"/>
			<xsd:enumeration value="GraphicalOnly"/>
		</xsd:restriction>
	</xsd:simpleType>
	<!--
	  
	-->
	<xsd:element name="TRCRefID">
		<xsd:annotation>
			<xsd:documentation>TRC Reference Identifier</xsd:documentation>
		</xsd:annotation>
		<xsd:complexType>
			<xsd:sequence>
				<xsd:element name="yrYrPub" type="xsd:integer">
					<xsd:annotation>
						<xsd:documentation>Integer year of publication</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="sAuthor1" type="xsd:string">
					<xsd:annotation>
						<xsd:documentation>First 3 characters of Author 1 last name</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="sAuthor2" type="xsd:string">
					<xsd:annotation>
						<xsd:documentation>First 3 characters of Author 2 last name</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="nAuthorn" type="xsd:integer">
					<xsd:annotation>
						<xsd:documentation>Integer identifier to distinguish conflicts</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
			</xsd:sequence>
		</xsd:complexType>
	</xsd:element>
	<!--
	
	-->
	<xsd:element name="Citation">
		<xsd:complexType>
			<xsd:sequence>
				<xsd:element ref="TRCRefID" minOccurs="0"/>
				<xsd:element name="eType" type="ECitationType" minOccurs="0">
					<xsd:annotation>
						<xsd:documentation>The type of citation</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="eSourceType" type="ECitationSourceType" minOccurs="0">
					<xsd:annotation>
						<xsd:documentation>The source status type for a citation</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="eDataType" type="ECitationDataType" minOccurs="0">
					<xsd:annotation>
						<xsd:documentation>The data type of the citation</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="sCompany" type="xsd:string" minOccurs="0">
					<xsd:annotation>
						<xsd:documentation>Company, institution, or conference name</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="sAuthor" type="xsd:string" minOccurs="0" maxOccurs="unbounded">
					<xsd:annotation>
						<xsd:documentation>Author of citation</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="sPubName" type="xsd:string" minOccurs="0">
					<xsd:annotation>
						<xsd:documentation>Name of the publication where the citation was published.</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="yrPubYr" type="xsd:gYear" minOccurs="0">
					<xsd:annotation>
						<xsd:documentation>Publication year of the citation</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="dateCit" type="xsd:date" minOccurs="0">
					<xsd:annotation>
						<xsd:documentation>Date of the citation</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="sTitle" type="xsd:string" minOccurs="0">
					<xsd:annotation>
						<xsd:documentation>Title of the citation</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="sAbstract" type="xsd:string" minOccurs="0">
					<xsd:annotation>
						<xsd:documentation>An abstract of the citation</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="sKeyword" type="xsd:string" minOccurs="0" maxOccurs="unbounded"/>
				<xsd:element name="urlCit" type="xsd:string" minOccurs="0">
					<xsd:annotation>
						<xsd:documentation>URL to the citation</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="sCASCit" type="xsd:string" minOccurs="0">
					<xsd:annotation>
						<xsd:documentation>The Chemical Abstracts Service citation</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="sBulChemThermoCit" type="xsd:string" minOccurs="0">
					<xsd:annotation>
						<xsd:documentation>The Bulletin of Chemical Thermodynamics citation</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="sIDNum" type="xsd:string" minOccurs="0">
					<xsd:annotation>
						<xsd:documentation>Identification number, e.g., a patent number or a document number</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="sLocation" type="xsd:string" minOccurs="0">
					<xsd:annotation>
						<xsd:documentation>Reference to a location</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="sVol" type="xsd:string" minOccurs="0">
					<xsd:annotation>
						<xsd:documentation>Volume number</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="sPage" type="xsd:string" minOccurs="0">
					<xsd:annotation>
						<xsd:documentation>Page range where the citation can be found</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:choice minOccurs="0">
					<xsd:element name="book">
						<xsd:complexType>
							<xsd:sequence>
								<xsd:element name="sChapter" type="xsd:string" minOccurs="0">
									<xsd:annotation>
										<xsd:documentation>Chapter number</xsd:documentation>
									</xsd:annotation>
								</xsd:element>
								<xsd:element name="sEdition" type="xsd:string" minOccurs="0">
									<xsd:annotation>
										<xsd:documentation>Edition number of the book</xsd:documentation>
									</xsd:annotation>
								</xsd:element>
								<xsd:element name="sEditor" type="xsd:string" minOccurs="0" maxOccurs="unbounded">
									<xsd:annotation>
										<xsd:documentation>Editor of the book</xsd:documentation>
									</xsd:annotation>
								</xsd:element>
								<xsd:element name="sISBN" type="xsd:string" minOccurs="0">
									<xsd:annotation>
										<xsd:documentation>The International Standard Book Number</xsd:documentation>
									</xsd:annotation>
								</xsd:element>
							</xsd:sequence>
						</xsd:complexType>
					</xsd:element>
					<xsd:element name="journal">
						<xsd:complexType>
							<xsd:sequence>
								<xsd:element name="sISSN" type="xsd:string" minOccurs="0">
									<xsd:annotation>
										<xsd:documentation>The International Standard Subscription Number</xsd:documentation>
									</xsd:annotation>
								</xsd:element>
								<xsd:element name="sIssue" type="xsd:string" minOccurs="0">
									<xsd:annotation>
										<xsd:documentation>Issue number, usually indicates month</xsd:documentation>
									</xsd:annotation>
								</xsd:element>
								<xsd:element name="sCODEN" type="xsd:string" minOccurs="0">
									<xsd:annotation>
										<xsd:documentation>The CODEN identification of the journal</xsd:documentation>
									</xsd:annotation>
								</xsd:element>
							</xsd:sequence>
						</xsd:complexType>
					</xsd:element>
					<xsd:element name="thesis">
						<xsd:complexType>
							<xsd:sequence>
								<xsd:element name="sDeg" type="xsd:string" minOccurs="0">
									<xsd:annotation>
										<xsd:documentation>Academic degree designation, e.g., MS or PhD</xsd:documentation>
									</xsd:annotation>
								</xsd:element>
								<xsd:element name="sDegInst" type="xsd:string" minOccurs="0">
									<xsd:annotation>
										<xsd:documentation>Academic degree granting institution</xsd:documentation>
									</xsd:annotation>
								</xsd:element>
								<xsd:element name="sUMIPubNum" type="xsd:string" minOccurs="0">
									<xsd:annotation>
										<xsd:documentation>University Microfilms International Publication Number</xsd:documentation>
									</xsd:annotation>
								</xsd:element>
							</xsd:sequence>
						</xsd:complexType>
					</xsd:element>
				</xsd:choice>
			</xsd:sequence>
		</xsd:complexType>
	</xsd:element>
	<!--
	    
       -->
	<xsd:element name="Compound">
		<xsd:annotation>
			<xsd:documentation>Material component characteristics that serves to identify the component            </xsd:documentation>
		</xsd:annotation>
		<xsd:complexType>
			<xsd:sequence>
				<xsd:element name="RegNum">
					<xsd:complexType>
						<xsd:sequence>
							<xsd:element name="nCASRNum" type="xsd:integer" minOccurs="0"/>
							<xsd:element name="nOrgNum" type="xsd:integer" minOccurs="0"/>
						</xsd:sequence>
					</xsd:complexType>
				</xsd:element>
				<xsd:element name="sCASName" type="xsd:string" minOccurs="0"/>
				<xsd:element name="sIUPACName" type="xsd:string" minOccurs="0">
					<xsd:annotation>
						<xsd:appinfo>IUPAC name, string</xsd:appinfo>
						<xsd:documentation>International Union of Physics and Applied Chemistry name</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="sCommonName" type="xsd:string" minOccurs="0" maxOccurs="unbounded">
					<xsd:annotation>
						<xsd:appinfo>Common name, string</xsd:appinfo>
						<xsd:documentation>Common name</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="sFormulaMolec" type="xsd:string" minOccurs="0">
					<xsd:annotation>
						<xsd:appinfo>Molecular formula, string</xsd:appinfo>
						<xsd:documentation>Chemical molecular formula</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="sSmiles" type="xsd:string" minOccurs="0" maxOccurs="unbounded">
					<xsd:annotation>
						<xsd:appinfo>SMILES notation, string</xsd:appinfo>
						<xsd:documentation>SMILES notation</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element ref="Sample" minOccurs="0" maxOccurs="unbounded"/>
			</xsd:sequence>
		</xsd:complexType>
	</xsd:element>
	<!--
	    
      -->
	<xsd:element name="Sample">
		<xsd:annotation>
			<xsd:documentation>sample</xsd:documentation>
		</xsd:annotation>
		<xsd:complexType>
			<xsd:sequence>
				<xsd:element name="nSampleNm" type="xsd:integer"/>
				<xsd:element name="eSource" type="eSampleSource" minOccurs="0"/>
				<xsd:element name="eStatus" type="eSampleStatus" minOccurs="0"/>
				<xsd:element name="purity" minOccurs="0" maxOccurs="unbounded">
					<xsd:annotation>
						<xsd:documentation>Purity of the sample</xsd:documentation>
					</xsd:annotation>
					<xsd:complexType>
						<xsd:sequence>
							<xsd:element name="nStep" type="xsd:integer"/>
							<xsd:element name="ePurifMethod" type="ePurifMethod" minOccurs="0" maxOccurs="unbounded"/>
							<xsd:element name="sPurifMethod" type="xsd:string" minOccurs="0" maxOccurs="unbounded"/>
							<xsd:element name="nPurityMol" type="xsd:float" minOccurs="0">
								<xsd:annotation>
									<xsd:documentation>purity value in mole percent</xsd:documentation>
								</xsd:annotation>
							</xsd:element>
							<xsd:element name="nPurityMass" type="xsd:float" minOccurs="0">
								<xsd:annotation>
									<xsd:documentation>purity value in mass percent</xsd:documentation>
								</xsd:annotation>
							</xsd:element>
							<xsd:element name="nPurityVol" type="xsd:float" minOccurs="0">
								<xsd:annotation>
									<xsd:documentation>purity value in volume percent</xsd:documentation>
								</xsd:annotation>
							</xsd:element>
							<xsd:element name="nWaterMassPerCent" type="xsd:float" minOccurs="0">
								<xsd:annotation>
									<xsd:documentation>mass per cent of water</xsd:documentation>
								</xsd:annotation>
							</xsd:element>
							<xsd:element name="eAnalMeth" type="ePurityAnalMethod" minOccurs="0" maxOccurs="unbounded">
								<xsd:annotation>
									<xsd:documentation>Analytical method used to determine purity</xsd:documentation>
								</xsd:annotation>
							</xsd:element>
							<xsd:element name="sAnalMeth" type="xsd:string" minOccurs="0" maxOccurs="unbounded"/>
						</xsd:sequence>
					</xsd:complexType>
				</xsd:element>
			</xsd:sequence>
		</xsd:complexType>
	</xsd:element>
	<!--
	
	-->
	<xsd:element name="PureOrMixtureData">
		<xsd:complexType>
			<xsd:sequence>
				<xsd:element name="Component" maxOccurs="unbounded">
					<xsd:complexType>
						<xsd:sequence>
							<xsd:element ref="RegNum"/>
							<xsd:element name="nSampleNm" type="xsd:int"/>
						</xsd:sequence>
					</xsd:complexType>
				</xsd:element>
				<xsd:element name="eExpPurpose" type="eExpPurpose" minOccurs="0">
					<xsd:annotation>
						<xsd:documentation>Purpose of measurement</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="sCompiler" type="xsd:string" minOccurs="0"/>
				<xsd:element name="sContributor" type="xsd:string" minOccurs="0"/>
				<xsd:element name="dateDateAdded" minOccurs="0"/>
				<xsd:element name="Property" maxOccurs="unbounded">
					<xsd:complexType>
						<xsd:sequence>
							<xsd:element name="nPropNumber" type="xsd:integer"/>
							<xsd:element name="Property-MethodID">
								<xsd:annotation>
									<xsd:documentation> CASRN is necessary for mixtures only</xsd:documentation>
								</xsd:annotation>
								<xsd:complexType>
									<xsd:sequence>
										<xsd:element name="PropertyGroup">
											<xsd:complexType>
												<xsd:choice>
													<xsd:element name="Criticals">
														<xsd:complexType>
															<xsd:sequence>
																<xsd:element name="ePropName">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="Critical temperature, K"/>
																			<xsd:enumeration value="Critical pressure, kPa"/>
																			<xsd:enumeration value="Critical density, kg/m3"/>
																			<xsd:enumeration value="Critical molar volume, m3/mol"/>
																			<xsd:enumeration value="Critical specific volume, m3/kg"/>
																			<xsd:enumeration value="Critical compressibility"/>
																			<xsd:enumeration value="Lower consolute temperature, K"/>
																			<xsd:enumeration value="Upper consolute temperature, K"/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="eMethodName" minOccurs="0">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="Visual observation in an unstirred cell"/>
																			<xsd:enumeration value="Visual observation in a stirred cell"/>
																			<xsd:enumeration value="DSC/DTA"/>
																			<xsd:enumeration value="Derived from PVT data"/>
																			<xsd:enumeration value="Extrapolated vapor pressure"/>
																			<xsd:enumeration value="Rectilinear diameter"/>
																			<xsd:enumeration value="Appearance of two phases"/>
																			<xsd:enumeration value="Disappearance of two phases"/>
																			<xsd:enumeration value="Direct measurement"/>
																			<xsd:enumeration value="Other"/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="sMethodName" type="xsd:string" minOccurs="0"/>
															</xsd:sequence>
														</xsd:complexType>
													</xsd:element>
													<xsd:element name="VaporPBoilingTAzeotropTandP">
														<xsd:complexType>
															<xsd:sequence>
																<xsd:element name="ePropName">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="Vapor or Sublimation pressure, kPa"/>
																			<xsd:enumeration value="Normal boiling temperature, K"/>
																			<xsd:enumeration value="Boiling temperature at pressure P, K"/>
																			<xsd:enumeration value="Azeotropic pressure, kPa"/>
																			<xsd:enumeration value="Azeotropic temperature, K"/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="eMethodName" minOccurs="0">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="Manometric method"/>
																			<xsd:enumeration value="Closed cell (Static) method"/>
																			<xsd:enumeration value="Diaphragm manometer"/>
																			<xsd:enumeration value="Inclined piston gauge"/>
																			<xsd:enumeration value="Isochoric PVT apparatus"/>
																			<xsd:enumeration value="Isoteniscope"/>
																			<xsd:enumeration value="Knudsen effusion method"/>
																			<xsd:enumeration value="Distillation"/>
																			<xsd:enumeration value="Ebulliometric method (Recirculating still)"/>
																			<xsd:enumeration value="Twin ebulliometer"/>
																			<xsd:enumeration value="Transpiration method"/>
																			<xsd:enumeration value="Rate of evaporation"/>
																			<xsd:enumeration value="By X=Y"/>
																			<xsd:enumeration value="By P(X) extreme"/>
																			<xsd:enumeration value="By T(X) extreme"/>
																			<xsd:enumeration value="Other"/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="sMethodName" type="xsd:string" minOccurs="0"/>
															</xsd:sequence>
														</xsd:complexType>
													</xsd:element>
													<xsd:element name="PhaseTransition">
														<xsd:complexType>
															<xsd:sequence>
																<xsd:element name="ePropName">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="Triple point temperature, K"/>
																			<xsd:enumeration value="Triple point pressure, kPa"/>
																			<xsd:enumeration value="Normal melting temperature, K"/>
																			<xsd:enumeration value="Enthalpy of transition or fusion, kJ/mol"/>
																			<xsd:enumeration value="Cryoscopic constant, 1/K"/>
																			<xsd:enumeration value="Enthalpy of vaporization or sublimation, kJ/mol"/>
																			<xsd:enumeration value="Quadruple (quintuple) point temperature, K"/>
																			<xsd:enumeration value="Quadruple (quintuple) point pressure, kPa"/>
																			<xsd:enumeration value="Solid-liquid equilibrium temperature, K"/>
																			<xsd:enumeration value="Liquid-liquid equilibrium temperature, K"/>
																			<xsd:enumeration value="Eutectic temperature, K"/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="eMethodName" minOccurs="0">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="Visual observation"/>
																			<xsd:enumeration value="Heating/Cooling curves"/>
																			<xsd:enumeration value="DSC/DTA"/>
																			<xsd:enumeration value="Adiabatic calorimetry"/>
																			<xsd:enumeration value="Large-sample thermal analysis"/>
																			<xsd:enumeration value="Drop calorimetry"/>
																			<xsd:enumeration value="Drop ice or diphenyl ether calorimetry"/>
																			<xsd:enumeration value="Obtained from cryoscopic constant"/>
																			<xsd:enumeration value="Derived from phase diagram analysis"/>
																			<xsd:enumeration value="Static calorimetry"/>
																			<xsd:enumeration value="Flow calorimetry"/>
																			<xsd:enumeration value="Derived by Second law"/>
																			<xsd:enumeration value="Derived by Second law from precise ebulliometry"/>
																			<xsd:enumeration value="Depression of a freezing point of a dilute solution"/>
																			<xsd:enumeration value="Other"/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="sMethodName" type="xsd:string" minOccurs="0"/>
															</xsd:sequence>
														</xsd:complexType>
													</xsd:element>
													<xsd:element name="CompositionAtPhaseEquilibrium">
														<xsd:complexType>
															<xsd:sequence>
																<xsd:element name="ePropName">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="Azeotropic composition: mole fraction"/>
																			<xsd:enumeration value="Azeotropic composition: mass fraction"/>
																			<xsd:enumeration value="Eutectic composition: volume fraction"/>
																			<xsd:enumeration value="Eutectic composition: mole fraction"/>
																			<xsd:enumeration value="Eutectic composition: mass fraction"/>
																			<xsd:enumeration value="Lower consolute composition: volume fraction"/>
																			<xsd:enumeration value="Lower consolute composition: mole fraction"/>
																			<xsd:enumeration value="Lower consolute composition: mass fraction"/>
																			<xsd:enumeration value="Mass per volume of solution, kg/m3"/>
																			<xsd:enumeration value="Mass ratio to solvent"/>
																			<xsd:enumeration value="MolaLity, mol/kg"/>
																			<xsd:enumeration value="MolaRity, mol/dm3"/>
																			<xsd:enumeration value="Mole fraction"/>
																			<xsd:enumeration value="Mole fraction in LLG critical state"/>
																			<xsd:enumeration value="Mole ratio to solvent"/>
																			<xsd:enumeration value="Moles per mass of solution, mol/kg"/>
																			<xsd:enumeration value="Upper consolute composition: volume fraction"/>
																			<xsd:enumeration value="Upper consolute composition: mole fraction"/>
																			<xsd:enumeration value="Upper consolute composition: mass fraction"/>
																			<xsd:enumeration value="Volume fraction"/>
																			<xsd:enumeration value="Volume ratio to solvent"/>
																			<xsd:enumeration value="Mass fraction"/>
																			<xsd:enumeration value="Mass fraction in LLG critical state"/>
																			<xsd:enumeration value="Henry's Law constant for mole fraction, kPa"/>
																			<xsd:enumeration value="Henry's Law constant (molaLity), kPa kg/mol"/>
																			<xsd:enumeration value="Henry's Law constant (molaRity), kPa l/mol"/>
																			<xsd:enumeration value="Bunsen coefficient"/>
																			<xsd:enumeration value="Ostwald coefficient"/>
																			<xsd:enumeration value="Partial pressure, kPa"/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="eMethodName" minOccurs="0">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="By X=Y"/>
																			<xsd:enumeration value="By T or P extreme"/>
																			<xsd:enumeration value="Chromatography"/>
																			<xsd:enumeration value="Spectrophotometry"/>
																			<xsd:enumeration value="Determined by refractive index and/or density"/>
																			<xsd:enumeration value="Calculated by Gibbs-Duhem equation"/>
																			<xsd:enumeration value="Titration method"/>
																			<xsd:enumeration value="Static method"/>
																			<xsd:enumeration value="Dynamic method"/>
																			<xsd:enumeration value="Phase equilibration"/>
																			<xsd:enumeration value="Derived from phase diagram analysis"/>
																			<xsd:enumeration value="Appearance of two phases"/>
																			<xsd:enumeration value="Disappearance of two phases"/>
																			<xsd:enumeration value="Chromatography"/>
																			<xsd:enumeration value="Photoacoustic method"/>
																			<xsd:enumeration value="Other"/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="sMethodName" type="xsd:string" minOccurs="0"/>
															</xsd:sequence>
														</xsd:complexType>
													</xsd:element>
													<xsd:element name="ActivityFugacityOsmoticProp">
														<xsd:complexType>
															<xsd:sequence>
																<xsd:element name="ePropName">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="Activity"/>
																			<xsd:enumeration value="Activity coefficient"/>
																			<xsd:enumeration value="Fugacity, kPa"/>
																			<xsd:enumeration value="Fugacity coefficient"/>
																			<xsd:enumeration value="Osmotic pressure, kPa"/>
																			<xsd:enumeration value="Osmotic coefficient"/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="eMethodName" minOccurs="0">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="Chromatography"/>
																			<xsd:enumeration value="Spectroscopy"/>
																			<xsd:enumeration value="Mass-spectrometry"/>
																			<xsd:enumeration value="NMR spectrometry"/>
																			<xsd:enumeration value="Static method"/>
																			<xsd:enumeration value="Isopiestic method"/>
																			<xsd:enumeration value="Other"/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="sMethodName" type="xsd:string" minOccurs="0"/>
															</xsd:sequence>
														</xsd:complexType>
													</xsd:element>
													<xsd:element name="VolumetricProp">
														<xsd:complexType>
															<xsd:sequence>
																<xsd:element name="ePropName">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="Specific density, kg/m3"/>
																			<xsd:enumeration value="Specific volume, m3/kg"/>
																			<xsd:enumeration value="Molar density, mol/m3"/>
																			<xsd:enumeration value="Molar volume, m3/mol"/>
																			<xsd:enumeration value="2nd virial coefficient, m3/mol"/>
																			<xsd:enumeration value="2nd acoustic virial coefficient, m3/mol"/>
																			<xsd:enumeration value="3rd virial coefficient, m6/mol2"/>
																			<xsd:enumeration value="3rd acoustic virial coefficient, m6/mol2"/>
																			<xsd:enumeration value="3rd interaction virial coefficient C112, m6/mol2"/>
																			<xsd:enumeration value="3rd interaction virial coefficient C122, m6/mol2"/>
																			<xsd:enumeration value="Excess virial coefficient, m3/mol"/>
																			<xsd:enumeration value="Interaction virial coefficient, m3/mol"/>
																			<xsd:enumeration value="Excess volume, m3/mol"/>
																			<xsd:enumeration value="Partial molar volume, m3/mol"/>
																			<xsd:enumeration value="Relative partial molar volume, m3/mol"/>
																			<xsd:enumeration value="Apparent molar volume, m3/mol"/>
																			<xsd:enumeration value="Adiabatic compressibility, 1/kPa"/>
																			<xsd:enumeration value="Isothermal compressibility, 1/kPa"/>
																			<xsd:enumeration value="Coefficient of expansion, 1/K"/>
																			<xsd:enumeration value="Compressibility factor"/>
																			<xsd:enumeration value="Thermal pressure coefficient, kPa/K"/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="eMethodName" minOccurs="0">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="Pycnometric method"/>
																			<xsd:enumeration value="Buoyancy method"/>
																			<xsd:enumeration value="Vibrating tube method"/>
																			<xsd:enumeration value="Isochoric PVT measurement"/>
																			<xsd:enumeration value="Other PVT measurement"/>
																			<xsd:enumeration value="Burnett expansion technique"/>
																			<xsd:enumeration value="Constant-volume piesometry"/>
																			<xsd:enumeration value="Direct dilatometry"/>
																			<xsd:enumeration value="Derived analytically"/>
																			<xsd:enumeration value="Derived graphically"/>
																			<xsd:enumeration value="Calculated with densities of this investigation"/>
																			<xsd:enumeration value="Calculated with a solvent density reported elsewhere"/>
																			<xsd:enumeration value="Other"/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="sMethodName" type="xsd:string" minOccurs="0"/>
															</xsd:sequence>
														</xsd:complexType>
													</xsd:element>
													<xsd:element name="HeatCapacityAndDerivedProp">
														<xsd:complexType>
															<xsd:sequence>
																<xsd:element name="ePropName">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="Heat capacity at constant pressure Cp, J/K/mol"/>
																			<xsd:enumeration value="Heat capacity at vapor saturation pressure Csat, J/K/mol"/>
																			<xsd:enumeration value="Heat capacity at constant volume Cv, J/K/mol"/>
																			<xsd:enumeration value="Heat capacity at constant pressure Cp per unit mass, J/K/kg"/>
																			<xsd:enumeration value="Heat capacity at constant pressure Cp per unit volume, J/K/m3"/>
																			<xsd:enumeration value="Heat capacity at constant volume Cv per unit mass, J/K/kg"/>
																			<xsd:enumeration value="Heat capacity at constant volume Cv per unit volume, J/K/m3"/>
																			<xsd:enumeration value="Heat capacity ratio Cp/Cv"/>
																			<xsd:enumeration value="Entropy, J/K/mol"/>
																			<xsd:enumeration value="Enthalpy, kJ/mol"/>
																			<xsd:enumeration value="Enthalpy function {H(T)-H(0)}/T, J/K/mol"/>
																			<xsd:enumeration value="Gibbs energy function {G(T)-H(0)}/T, J/K/mol"/>
																			<xsd:enumeration value="Gibbs energy, kJ/mol"/>
																			<xsd:enumeration value="Helmholtz energy, kJ/mol"/>
																			<xsd:enumeration value="Internal energy, kJ/mol"/>
																			<xsd:enumeration value="Joule-Thomson coefficient, K/kPa"/>
																			<xsd:enumeration value="Pressure coefficient of enthalpy, J/mol/kPa"/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="eMethodName" minOccurs="0">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="Vacuum adiabatic calorimetry"/>
																			<xsd:enumeration value="Small (less than 1 g) adiabatic calorimetry"/>
																			<xsd:enumeration value="Flow calorimetry"/>
																			<xsd:enumeration value="Large sample (1 g) DSC"/>
																			<xsd:enumeration value="Small sample (50 mg) DSC"/>
																			<xsd:enumeration value="Drop calorimetry"/>
																			<xsd:enumeration value="Drop ice or diphenyl ether calorimetry"/>
																			<xsd:enumeration value="Open cup calorimetry"/>
																			<xsd:enumeration value="Closed cup calorimetry"/>
																			<xsd:enumeration value="Differential flow calorimetry"/>
																			<xsd:enumeration value="Extra sensitive DSC"/>
																			<xsd:enumeration value="Twin closed calorimetry"/>
																			<xsd:enumeration value="Derived from speed of sound"/>
																			<xsd:enumeration value="Derived from equation of state"/>
																			<xsd:enumeration value="Expansion technique"/>
																			<xsd:enumeration value="Other"/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="sMethodName" type="xsd:string" minOccurs="0"/>
															</xsd:sequence>
														</xsd:complexType>
													</xsd:element>
													<xsd:element name="ExcessPartialApparentEnergyProp">
														<xsd:complexType>
															<xsd:sequence>
																<xsd:element name="ePropName">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="Apparent enthalpy, kJ/mol"/>
																			<xsd:enumeration value="Apparent entropy, J/K/mol"/>
																			<xsd:enumeration value="Apparent Gibbs energy, kJ/mol"/>
																			<xsd:enumeration value="Apparent molar heat capacity, J/K/mol"/>
																			<xsd:enumeration value="Enthalpy of mixing with a binary solvent, kJ/mol"/>
																			<xsd:enumeration value="Excess enthalpy, kJ/mol"/>
																			<xsd:enumeration value="Enthalpy of mixing with binary solvent, kJ/mol"/>
																			<xsd:enumeration value="Excess entropy, J/K/mol"/>
																			<xsd:enumeration value="Excess Gibbs energy, kJ/mol"/>
																			<xsd:enumeration value="Excess heat capacity, J/K/mol"/>
																			<xsd:enumeration value="Partial molar enthalpy, kJ/mol"/>
																			<xsd:enumeration value="Partial molar entropy, J/K/mol"/>
																			<xsd:enumeration value="Partial molar Gibbs energy, kJ/mol"/>
																			<xsd:enumeration value="Partial molar heat capacity, J/K/mol"/>
																			<xsd:enumeration value="Relative partial molar enthalpy, kJ/mol"/>
																			<xsd:enumeration value="Relative partial molar entropy, J/K/mol"/>
																			<xsd:enumeration value="Relative partial molar Gibbs energy, kJ/mol"/>
																			<xsd:enumeration value="Relative partial molar heat capacity, J/K/mol"/>
																			<xsd:enumeration value="Standard state enthalpy, kJ/mol"/>
																			<xsd:enumeration value="Standard state entropy, J/K/mol"/>
																			<xsd:enumeration value="Standard state Gibbs energy, kJ/mol"/>
																			<xsd:enumeration value="Standard state heat capacity, J/K/mol"/>
																			<xsd:enumeration value=""/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="eMethodName" minOccurs="0">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="Vacuum adiabatic calorimetry"/>
																			<xsd:enumeration value="Small (less than 1 g) adiabatic calorimetry"/>
																			<xsd:enumeration value="Flow calorimetry"/>
																			<xsd:enumeration value="Differential flow calorimetry"/>
																			<xsd:enumeration value="Calvet calorimetry"/>
																			<xsd:enumeration value="Large sample (1 g) DSC"/>
																			<xsd:enumeration value="Small sample (50 mg) DSC"/>
																			<xsd:enumeration value="Extra sensitive DSC"/>
																			<xsd:enumeration value="Twin closed calorimetry"/>
																			<xsd:enumeration value="Other"/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="sMethodName" type="xsd:string" minOccurs="0"/>
															</xsd:sequence>
														</xsd:complexType>
													</xsd:element>
													<xsd:element name="TransportProp">
														<xsd:complexType>
															<xsd:sequence>
																<xsd:element name="ePropName">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="Viscosity, Pa*s"/>
																			<xsd:enumeration value="Kinematic viscosity, m2/s"/>
																			<xsd:enumeration value="Fluidity, 1/Pa/s"/>
																			<xsd:enumeration value="Thermal conductivity, W/m/K"/>
																			<xsd:enumeration value="Thermal diffusivity, m2/s"/>
																			<xsd:enumeration value="Binary diffusion coefficient, 1e-9 m2/s"/>
																			<xsd:enumeration value="Self diffusion coefficient, 1e-9 m2/s"/>
																			<xsd:enumeration value="Tracer diffusion coefficient, 1e-9 m2/s"/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="eMethodName" minOccurs="0">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="Capillary tube (Ostwald; Ubellohde) method"/>
																			<xsd:enumeration value="Cone and plate viscometry"/>
																			<xsd:enumeration value="Concentric cylinders viscometry"/>
																			<xsd:enumeration value="Falling or rolling sphere viscometry"/>
																			<xsd:enumeration value="Oscillating disk viscometry"/>
																			<xsd:enumeration value="Vibrating wire viscometry"/>
																			<xsd:enumeration value="Parallel plate method"/>
																			<xsd:enumeration value="Coaxial cylinder method"/>
																			<xsd:enumeration value="Hot wire method"/>
																			<xsd:enumeration value="Optical interferometry"/>
																			<xsd:enumeration value="Dispersion"/>
																			<xsd:enumeration value="Diaphragm Cell"/>
																			<xsd:enumeration value="Open capillary"/>
																			<xsd:enumeration value="Closed capillary"/>
																			<xsd:enumeration value="Taylor dispersion method"/>
																			<xsd:enumeration value="NMR spin-echo technique"/>
																			<xsd:enumeration value="Other"/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="sMethodName" type="xsd:string" minOccurs="0"/>
															</xsd:sequence>
														</xsd:complexType>
													</xsd:element>
													<xsd:element name="RefractionSurfaceTensionSoundSpeed">
														<xsd:complexType>
															<xsd:sequence>
																<xsd:element name="ePropName">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="Refractive index (Na D-line)"/>
																			<xsd:enumeration value="Refractive index (other wavelength)"/>
																			<xsd:enumeration value="Surface tension liquid-gas, N/m"/>
																			<xsd:enumeration value="Interfacial tension, N/m"/>
																			<xsd:enumeration value="Speed of sound, m/s"/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="eMethodName" minOccurs="0">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="Standard Abbe refractometry"/>
																			<xsd:enumeration value="Precision Abbe refractometry"/>
																			<xsd:enumeration value="Dipping refractometry (monochromatic)"/>
																			<xsd:enumeration value="Interferometer"/>
																			<xsd:enumeration value="Capillary rise"/>
																			<xsd:enumeration value="Drop weight"/>
																			<xsd:enumeration value="Drop volume"/>
																			<xsd:enumeration value="Maximal bubble pressure"/>
																			<xsd:enumeration value="Pendant drop shape"/>
																			<xsd:enumeration value="Ring tensiometer"/>
																			<xsd:enumeration value="Linear variable-path acoustic interferometer"/>
																			<xsd:enumeration value="Sing-around technique in a fixed-path interferometer"/>
																			<xsd:enumeration value="Annular interferometer"/>
																			<xsd:enumeration value="Pulse-echo method"/>
																			<xsd:enumeration value="Spherical resonator"/>
																			<xsd:enumeration value="Light diffraction method"/>
																			<xsd:enumeration value="Other"/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="sMethodName" type="xsd:string" minOccurs="0"/>
															</xsd:sequence>
														</xsd:complexType>
													</xsd:element>
												</xsd:choice>
											</xsd:complexType>
										</xsd:element>
										<xsd:element ref="RegNum" minOccurs="0"/>
									</xsd:sequence>
								</xsd:complexType>
							</xsd:element>
							<xsd:element name="PropPhaseID" minOccurs="0">
								<xsd:annotation>
									<xsd:documentation> CASRN is necessary for mixtures only</xsd:documentation>
								</xsd:annotation>
								<xsd:complexType>
									<xsd:sequence>
										<xsd:element name="ePropPhase" type="ePhaseName"/>
										<xsd:element ref="RegNum" minOccurs="0">
											<xsd:annotation>
												<xsd:documentation> CASRN is necessary for mixtures only</xsd:documentation>
											</xsd:annotation>
										</xsd:element>
									</xsd:sequence>
								</xsd:complexType>
							</xsd:element>
							<xsd:element name="ePresentation" type="ePresentation"/>
							<xsd:element name="eRefStateType" type="eRefStateType" minOccurs="0"/>
							<xsd:element name="nRefTemp" type="xsd:float" minOccurs="0"/>
							<xsd:element name="nRefPressure" type="xsd:float" minOccurs="0"/>
							<xsd:element name="RefPhaseID" minOccurs="0">
								<xsd:annotation>
									<xsd:documentation> CASRN is necessary for mixtures only</xsd:documentation>
								</xsd:annotation>
								<xsd:complexType>
									<xsd:sequence>
										<xsd:element name="eRefPhase" type="ePhaseName"/>
										<xsd:element ref="RegNum" minOccurs="0"/>
									</xsd:sequence>
								</xsd:complexType>
							</xsd:element>
							<xsd:element ref="Solvent" minOccurs="0"/>
							<xsd:element name="eStandardState" minOccurs="0">
								<xsd:simpleType>
									<xsd:restriction base="xsd:string">
										<xsd:enumeration value="Pure compound"/>
										<xsd:enumeration value="Hypothetical pure solute"/>
										<xsd:enumeration value="Hypothetical unit molality solute"/>
										<xsd:enumeration value="Hypothetical unit molarity solute"/>
										<xsd:enumeration value="Infinite dilution solute"/>
									</xsd:restriction>
								</xsd:simpleType>
							</xsd:element>
						</xsd:sequence>
					</xsd:complexType>
				</xsd:element>
				<xsd:element name="PhaseID" maxOccurs="unbounded">
					<xsd:annotation>
						<xsd:documentation> CASRN is necessary for mixtures only</xsd:documentation>
					</xsd:annotation>
					<xsd:complexType>
						<xsd:sequence>
							<xsd:element name="ePhase" type="ePhaseName"/>
							<xsd:element ref="RegNum" minOccurs="0"/>
						</xsd:sequence>
					</xsd:complexType>
				</xsd:element>
				<xsd:element name="Constraint" minOccurs="0" maxOccurs="unbounded">
					<xsd:complexType>
						<xsd:sequence>
							<xsd:element name="ConstraintID">
								<xsd:annotation>
									<xsd:documentation> CASRN is necessary for mixtures only</xsd:documentation>
								</xsd:annotation>
								<xsd:complexType>
									<xsd:sequence>
										<xsd:element name="ConstraintType" type="ConstraintVariableType"/>
										<xsd:element ref="RegNum" minOccurs="0"/>
									</xsd:sequence>
								</xsd:complexType>
							</xsd:element>
							<xsd:element name="ConstraintPhaseID" minOccurs="0">
								<xsd:annotation>
									<xsd:documentation> CASRN is necessary for mixtures only</xsd:documentation>
								</xsd:annotation>
								<xsd:complexType>
									<xsd:sequence>
										<xsd:element name="eConstraintPhase" type="ePhaseName"/>
										<xsd:element ref="RegNum" minOccurs="0"/>
									</xsd:sequence>
								</xsd:complexType>
							</xsd:element>
							<xsd:element ref="Solvent" minOccurs="0"/>
							<xsd:element name="nConstraintValue" type="xsd:float"/>
						</xsd:sequence>
					</xsd:complexType>
				</xsd:element>
				<xsd:element name="Variable" minOccurs="0" maxOccurs="unbounded">
					<xsd:complexType>
						<xsd:sequence>
							<xsd:element name="nVarNumber" type="xsd:integer"/>
							<xsd:element name="VariableID">
								<xsd:annotation>
									<xsd:documentation> CASRN is necessary for mixtures only</xsd:documentation>
								</xsd:annotation>
								<xsd:complexType>
									<xsd:sequence>
										<xsd:element name="VariableType" type="ConstraintVariableType"/>
										<xsd:element ref="RegNum" minOccurs="0"/>
									</xsd:sequence>
								</xsd:complexType>
							</xsd:element>
							<xsd:element name="VarPhaseID" minOccurs="0">
								<xsd:annotation>
									<xsd:documentation> CASRN is necessary for mixtures only</xsd:documentation>
								</xsd:annotation>
								<xsd:complexType>
									<xsd:sequence>
										<xsd:element name="eVarPhase" type="ePhaseName"/>
										<xsd:element ref="RegNum" minOccurs="0"/>
									</xsd:sequence>
								</xsd:complexType>
							</xsd:element>
							<xsd:element ref="Solvent" minOccurs="0"/>
						</xsd:sequence>
					</xsd:complexType>
				</xsd:element>
				<xsd:element name="NumValues" minOccurs="0" maxOccurs="unbounded">
					<xsd:complexType>
						<xsd:sequence>
							<xsd:element name="VariableValue" minOccurs="0" maxOccurs="unbounded">
								<xsd:complexType>
									<xsd:sequence>
										<xsd:element name="nVarNumber" type="xsd:integer"/>
										<xsd:element name="nVarValue" type="xsd:float"/>
									</xsd:sequence>
								</xsd:complexType>
							</xsd:element>
							<xsd:element name="PropertyValue" maxOccurs="unbounded">
								<xsd:complexType>
									<xsd:sequence>
										<xsd:element name="nPropNumber" type="xsd:integer"/>
										<xsd:element name="nPropValue" type="xsd:float"/>
									</xsd:sequence>
								</xsd:complexType>
							</xsd:element>
						</xsd:sequence>
					</xsd:complexType>
				</xsd:element>
			</xsd:sequence>
		</xsd:complexType>
	</xsd:element>
	<!--
      
      -->
	<xsd:element name="ReactionData">
		<xsd:complexType>
			<xsd:sequence>
				<xsd:element name="Participant" maxOccurs="unbounded">
					<xsd:complexType>
						<xsd:sequence>
							<xsd:element ref="RegNum"/>
							<xsd:element name="nSampleNm" type="xsd:int" minOccurs="0"/>
							<xsd:element name="nStoichiometricCoef" type="xsd:float"/>
							<xsd:element name="ePhase" type="ePhaseName"/>
							<xsd:element name="eCompositionRepresentation" minOccurs="0">
								<xsd:annotation>
									<xsd:documentation>Only for reactions with the initial state change</xsd:documentation>
								</xsd:annotation>
								<xsd:simpleType>
									<xsd:restriction base="xsd:string">
										<xsd:enumeration value="Mole ratio of solvent to participant"/>
										<xsd:enumeration value="Molality (moles of participant per kilogram of solvent)"/>
										<xsd:enumeration value="Moles of participant per kilogram of solution"/>
										<xsd:enumeration value="Molarity (moles of participant per liter of solution)"/>
										<xsd:enumeration value="Mole ratio (moles of participant per mole of solvent)"/>
										<xsd:enumeration value="Mass ratio (mass of participant per mass of solvent)"/>
										<xsd:enumeration value="Volume ratio (volume of participant per volume of solvent)"/>
										<xsd:enumeration value="Mass of participant (kg) per volume of solution (m^-3)"/>
									</xsd:restriction>
								</xsd:simpleType>
							</xsd:element>
							<xsd:element name="nNumericalComposition" type="xsd:float" minOccurs="0"/>
						</xsd:sequence>
					</xsd:complexType>
				</xsd:element>
				<xsd:element name="eExpPurpose" type="eExpPurpose" minOccurs="0">
					<xsd:annotation>
						<xsd:documentation>Purpose of measurement</xsd:documentation>
					</xsd:annotation>
				</xsd:element>
				<xsd:element name="sCompiler" type="xsd:string" minOccurs="0"/>
				<xsd:element name="sContributor" type="xsd:string" minOccurs="0"/>
				<xsd:element name="dateDateAdded" minOccurs="0"/>
				<xsd:element name="eReactionType">
					<xsd:simpleType>
						<xsd:restriction base="xsd:string">
							<xsd:enumeration value="Combustion with oxygen"/>
							<xsd:enumeration value="Addition of various compounds to unsaturated compounds"/>
							<xsd:enumeration value="Addition of water to a liquid or solid to produce a hydrate"/>
							<xsd:enumeration value="Atomization (or formation from atoms)"/>
							<xsd:enumeration value="Combustion with other elements or compounds"/>
							<xsd:enumeration value="Esterification"/>
							<xsd:enumeration value="Exchange of alkyl groups"/>
							<xsd:enumeration value="Exchange of hydrogen (atoms) with other groups"/>
							<xsd:enumeration value="Formation of a compound from elements in their stable state"/>
							<xsd:enumeration value="Halogenation (addition of or replacement by a halogen)"/>
							<xsd:enumeration value="Hydrogenation (addition of H2 to unsaturated compounds)"/>
							<xsd:enumeration value="Hydrohalogenation"/>
							<xsd:enumeration value="Hydrolysis of ions"/>
							<xsd:enumeration value="Other reactions with water"/>
							<xsd:enumeration value="Ion exchange"/>
							<xsd:enumeration value="Neutralization (reaction of an acid with a base)"/>
							<xsd:enumeration value="Oxidation with oxidizing agents other than oxygen"/>
							<xsd:enumeration value="Oxidation with oxygen (not complete)"/>
							<xsd:enumeration value="Polymerization (all other types)"/>
							<xsd:enumeration value="Homonuclear dimerization"/>
							<xsd:enumeration value="Solvolyis (solvents other than water)"/>
							<xsd:enumeration value="Stereoisomerism"/>
							<xsd:enumeration value="Structural isomerization"/>
							<xsd:enumeration value="Other reactions"/>
						</xsd:restriction>
					</xsd:simpleType>
				</xsd:element>
				<xsd:element name="Property" maxOccurs="unbounded">
					<xsd:complexType>
						<xsd:sequence>
							<xsd:element name="nPropNumber" type="xsd:integer"/>
							<xsd:element name="Property-MethodID">
								<xsd:complexType>
									<xsd:sequence>
										<xsd:element name="PropertyGroup">
											<xsd:complexType>
												<xsd:choice>
													<xsd:element name="EnthalpyInternalEnergyOfReaction">
														<xsd:complexType>
															<xsd:sequence>
																<xsd:element name="ePropName">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="Enthalpy of reaction, kJ/mol"/>
																			<xsd:enumeration value="Internal energy of reaction (mass basis), J/g"/>
																			<xsd:enumeration value="Internal energy of reaction (mole basis), kJ/mol"/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="eMethodName" minOccurs="0">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="Static bomb calorimetry"/>
																			<xsd:enumeration value="Rotating bomb calorimetry"/>
																			<xsd:enumeration value="Micro-bomb calorimetry"/>
																			<xsd:enumeration value="Flame calorimetry"/>
																			<xsd:enumeration value="Other"/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="sMethodName" type="xsd:string" minOccurs="0"/>
															</xsd:sequence>
														</xsd:complexType>
													</xsd:element>
													<xsd:element name="ReactionEquilibriumProp">
														<xsd:complexType>
															<xsd:sequence>
																<xsd:element name="ePropName">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="Thermodynamic equilibrium constant"/>
																			<xsd:enumeration value="Apparent equilibrium constant in terms of molality, (mol/kg)^n"/>
																			<xsd:enumeration value="Apparent equilibrium constant in terms of molarity, (mol/dm3)^n"/>
																			<xsd:enumeration value="Apparent equilibrium constant in terms of pressure, kPa^n"/>
																			<xsd:enumeration value="Apparent equilibrium constant in terms of mole fraction X"/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="eMethodName" minOccurs="0">
																	<xsd:simpleType>
																		<xsd:restriction base="xsd:string">
																			<xsd:enumeration value="Static equilibration"/>
																			<xsd:enumeration value="Dynamic equilibration"/>
																			<xsd:enumeration value="Chromatography"/>
																			<xsd:enumeration value="IR spectrometry"/>
																			<xsd:enumeration value="UV spectroscopy"/>
																			<xsd:enumeration value="NMR spectrometry"/>
																			<xsd:enumeration value="Titration"/>
																			<xsd:enumeration value="Other"/>
																		</xsd:restriction>
																	</xsd:simpleType>
																</xsd:element>
																<xsd:element name="sMethodName" type="xsd:string" minOccurs="0"/>
															</xsd:sequence>
														</xsd:complexType>
													</xsd:element>
												</xsd:choice>
											</xsd:complexType>
										</xsd:element>
									</xsd:sequence>
								</xsd:complexType>
							</xsd:element>
							<xsd:element name="Solvent" minOccurs="0">
								<xsd:complexType>
									<xsd:sequence>
										<xsd:element ref="RegNum"/>
										<xsd:element name="ePhase" type="ePhaseName"/>
									</xsd:sequence>
								</xsd:complexType>
							</xsd:element>
							<xsd:element name="Catalyst" minOccurs="0">
								<xsd:complexType>
									<xsd:sequence>
										<xsd:element ref="RegNum"/>
										<xsd:element name="ePhase" type="ePhaseName" minOccurs="0"/>
									</xsd:sequence>
								</xsd:complexType>
							</xsd:element>
							<xsd:element name="eStandardState" minOccurs="0">
								<xsd:simpleType>
									<xsd:restriction base="xsd:string">
										<xsd:enumeration value="Pure compound"/>
										<xsd:enumeration value="Hypothetical pure solute"/>
										<xsd:enumeration value="Hypothetical unit molality solute"/>
										<xsd:enumeration value="Hypothetical unit molarity solute"/>
										<xsd:enumeration value="Infinite dilution solute"/>
									</xsd:restriction>
								</xsd:simpleType>
							</xsd:element>
							<xsd:element name="nTemperature-K" type="xsd:float" minOccurs="0">
								<xsd:annotation>
									<xsd:documentation> Only for reactions with the initial state change</xsd:documentation>
								</xsd:annotation>
							</xsd:element>
							<xsd:element name="nPressure-kPa" type="xsd:float" minOccurs="0">
								<xsd:annotation>
									<xsd:documentation> Only for reactions with the initial state change</xsd:documentation>
								</xsd:annotation>
							</xsd:element>
						</xsd:sequence>
					</xsd:complexType>
				</xsd:element>
				<xsd:element name="Constraint" minOccurs="0" maxOccurs="unbounded">
					<xsd:annotation>
						<xsd:documentation>Only for reactions in equilibrium</xsd:documentation>
					</xsd:annotation>
					<xsd:complexType>
						<xsd:sequence>
							<xsd:element name="ConstraintID">
								<xsd:complexType>
									<xsd:sequence>
										<xsd:element name="ConstraintType" type="ConstraintVariableType"/>
										<xsd:element ref="RegNum" minOccurs="0"/>
									</xsd:sequence>
								</xsd:complexType>
							</xsd:element>
							<xsd:element name="nConstraintValue" type="xsd:float"/>
						</xsd:sequence>
					</xsd:complexType>
				</xsd:element>
				<xsd:element name="Variable" minOccurs="0" maxOccurs="unbounded">
					<xsd:annotation>
						<xsd:documentation>Only for reactions in equilibrium</xsd:documentation>
					</xsd:annotation>
					<xsd:complexType>
						<xsd:sequence>
							<xsd:element name="nVarNumber" type="xsd:integer"/>
							<xsd:element name="VariableID">
								<xsd:complexType>
									<xsd:sequence>
										<xsd:element name="VariableType" type="ConstraintVariableType"/>
										<xsd:element ref="RegNum" minOccurs="0"/>
									</xsd:sequence>
								</xsd:complexType>
							</xsd:element>
						</xsd:sequence>
					</xsd:complexType>
				</xsd:element>
				<xsd:element name="NumValues" minOccurs="0" maxOccurs="unbounded">
					<xsd:complexType>
						<xsd:sequence>
							<xsd:element name="VariableValue" minOccurs="0" maxOccurs="unbounded">
								<xsd:complexType>
									<xsd:sequence>
										<xsd:element name="nVarNumber" type="xsd:integer"/>
										<xsd:element name="nVarValue" type="xsd:float"/>
									</xsd:sequence>
								</xsd:complexType>
							</xsd:element>
							<xsd:element name="PropertyValue" maxOccurs="unbounded">
								<xsd:complexType>
									<xsd:sequence>
										<xsd:element name="nPropNumber" type="xsd:integer"/>
										<xsd:element name="nPropValue" type="xsd:float"/>
									</xsd:sequence>
								</xsd:complexType>
							</xsd:element>
						</xsd:sequence>
					</xsd:complexType>
				</xsd:element>
			</xsd:sequence>
		</xsd:complexType>
	</xsd:element>
	<!--

      -->
	<xsd:simpleType name="eSampleStatus">
		<xsd:annotation>
			<xsd:documentation>The sample status</xsd:documentation>
		</xsd:annotation>
		<xsd:restriction base="xsd:string">
			<xsd:enumeration value="unknown"/>
			<xsd:enumeration value="notDescribed"/>
			<xsd:enumeration value="previousPaper"/>
			<xsd:enumeration value="compilation"/>
		</xsd:restriction>
	</xsd:simpleType>
	<!--

      -->
	<xsd:simpleType name="eSampleSource">
		<xsd:annotation>
			<xsd:documentation>Source(s) of the sample</xsd:documentation>
		</xsd:annotation>
		<xsd:restriction base="xsd:string">
			<xsd:enumeration value="Commercial source"/>
			<xsd:enumeration value="Synthesized by the authors"/>
			<xsd:enumeration value="Synthesized by others"/>
			<xsd:enumeration value="Standard Reference Material (SRM)"/>
			<xsd:enumeration value="Isolated from a natural product"/>
			<xsd:enumeration value="Not stated in the document"/>
			<xsd:enumeration value="No sample used"/>
		</xsd:restriction>
	</xsd:simpleType>
	<!--
	
	-->
	<xsd:simpleType name="ePurifMethod">
		<xsd:annotation>
			<xsd:documentation>Purification method(s) used to purify sample</xsd:documentation>
		</xsd:annotation>
		<xsd:restriction base="xsd:string">
			<xsd:enumeration value="Impurity adsorption"/>
			<xsd:enumeration value="Vacuum degasification"/>
			<xsd:enumeration value="Chemical reagent treatment"/>
			<xsd:enumeration value="Crystallization from melt"/>
			<xsd:enumeration value="Crystallization from solution"/>
			<xsd:enumeration value="Liquid chromatography"/>
			<xsd:enumeration value="Dried with chemical reagent"/>
			<xsd:enumeration value="Dried in a desiccator"/>
			<xsd:enumeration value="Dried by oven heating"/>
			<xsd:enumeration value="Dried by vacuum heating"/>
			<xsd:enumeration value="De-gassed by freezing and melting in vacuum"/>
			<xsd:enumeration value="De-gassed by boiling or ultrasonically"/>
			<xsd:enumeration value="Fractional crystallization"/>
			<xsd:enumeration value="Fractional distillation"/>
			<xsd:enumeration value="Molecular sieve treatment"/>
			<xsd:enumeration value="Unspecified"/>
			<xsd:enumeration value="Preparative gas chromatography"/>
			<xsd:enumeration value="Sublimation"/>
			<xsd:enumeration value="Steam distillation"/>
			<xsd:enumeration value="Solvent extraction"/>
			<xsd:enumeration value="Salting out of solution"/>
			<xsd:enumeration value="Zone refining"/>
			<xsd:enumeration value="Other"/>
			<xsd:enumeration value="None used"/>
		</xsd:restriction>
	</xsd:simpleType>
	<!--
	
	-->
	<xsd:simpleType name="ePurityAnalMethod">
		<xsd:annotation>
			<xsd:documentation>Analytical method used to measure purity.</xsd:documentation>
		</xsd:annotation>
		<xsd:restriction base="xsd:string">
			<xsd:enumeration value="Chemical analysis"/>
			<xsd:enumeration value="Difference between bubble and dew points"/>
			<xsd:enumeration value="Density"/>
			<xsd:enumeration value="DSC"/>
			<xsd:enumeration value="Estimation"/>
			<xsd:enumeration value="Gas chromatography"/>
			<xsd:enumeration value="Fraction melting in an adiabatic calorimeter"/>
			<xsd:enumeration value="Mass spectrometry"/>
			<xsd:enumeration value="Not known"/>
			<xsd:enumeration value="Spectroscopy"/>
			<xsd:enumeration value="Thermal analysis using temperature-time measurement"/>
			<xsd:enumeration value="Acid-base titration"/>
			<xsd:enumeration value="Mass loss on drying"/>
			<xsd:enumeration value="HPLC"/>
			<xsd:enumeration value="CO2 yield in combustion products"/>
			<xsd:enumeration value="Other"/>
			<xsd:enumeration value="Estimated by the compiler"/>
		</xsd:restriction>
	</xsd:simpleType>
	<!--
	
	-->
	<xsd:simpleType name="eExpPurpose">
		<xsd:annotation>
			<xsd:documentation>Purpose of measurement</xsd:documentation>
		</xsd:annotation>
		<xsd:restriction base="xsd:string">
			<xsd:enumeration value="Principal objective of the work"/>
			<xsd:enumeration value="Secondary purpose (by-product of other objective)"/>
			<xsd:enumeration value="Determined for identification of a synthesized compound"/>
		</xsd:restriction>
	</xsd:simpleType>
	<!--
	
	-->
	<xsd:simpleType name="ePhaseName">
		<xsd:annotation>
			<xsd:documentation>Phase description</xsd:documentation>
		</xsd:annotation>
		<xsd:restriction base="xsd:string">
			<xsd:enumeration value="Crystal 4"/>
			<xsd:enumeration value="Crystal 3"/>
			<xsd:enumeration value="Crystal 2"/>
			<xsd:enumeration value="Crystal 1"/>
			<xsd:enumeration value="Crystal"/>
			<xsd:enumeration value="Crystal of unknown type"/>
			<xsd:enumeration value="Crystal of intercomponent compound 1"/>
			<xsd:enumeration value="Crystal of intercomponent compound 2"/>
			<xsd:enumeration value="Crystal of intercomponent compound 3"/>
			<xsd:enumeration value="Metastable crystal"/>
			<xsd:enumeration value="Glass"/>
			<xsd:enumeration value="Smectic liquid crystal"/>
			<xsd:enumeration value="Nematic liquid crystal"/>
			<xsd:enumeration value="Cholesteric liquid crystal"/>
			<xsd:enumeration value="Liquid"/>
			<xsd:enumeration value="Liquid mixture 1"/>
			<xsd:enumeration value="Liquid mixture 2"/>
			<xsd:enumeration value="Solution 1"/>
			<xsd:enumeration value="Solution 2"/>
			<xsd:enumeration value="Fluid (supercritical or subcritical phases)"/>
			<xsd:enumeration value="Ideal gas"/>
			<xsd:enumeration value="Gas"/>
			<xsd:enumeration value="Air at 1 atmosphere"/>
		</xsd:restriction>
	</xsd:simpleType>
	<xsd:simpleType name="ePresentation">
		<xsd:annotation>
			<xsd:documentation>Means of property presentation</xsd:documentation>
		</xsd:annotation>
		<xsd:restriction base="xsd:string">
			<xsd:enumeration value="Direct value, X"/>
			<xsd:enumeration value="Difference between upper and lower temperature, X(T2)-X(T1)"/>
			<xsd:enumeration value="Difference between upper and lower pressure, X(P2)-X(P1)"/>
			<xsd:enumeration value="Mean between upper and lower temperature, [X(T2)+X(T1)]/2"/>
			<xsd:enumeration value="Difference with the reference state, X-X(REF)"/>
			<xsd:enumeration value="Ratio with the reference state, X/X(REF)"/>
			<xsd:enumeration value="Ratio of difference with the reference state to the reference state, [X-X(REF)]/X(REF)"/>
		</xsd:restriction>
	</xsd:simpleType>
	<!--
	
	-->
	<xsd:simpleType name="eRefStateType">
		<xsd:annotation>
			<xsd:documentation>Type of reference state</xsd:documentation>
		</xsd:annotation>
		<xsd:restriction base="xsd:string">
			<xsd:enumeration value="Reference phase with the same composition at fixed temperature and pressure"/>
			<xsd:enumeration value="Reference phase with the same composition, temperature and pressure"/>
			<xsd:enumeration value="Reference phase at fixed temperature and the same pressure"/>
			<xsd:enumeration value="Reference phase at the same temperature and fixed pressure"/>
			<xsd:enumeration value="Phase in equilibrium with primary phase at the same temperature and pressure"/>
			<xsd:enumeration value="Pure components in the same proportion at the same temperature and pressure"/>
			<xsd:enumeration value="Pure solvent at the temperature of the same phase equilibrium"/>
			<xsd:enumeration value="Pure solvent at the same temperature and pressure"/>
			<xsd:enumeration value="Pure solute at the same temperature and pressure"/>
		</xsd:restriction>
	</xsd:simpleType>
	<!--
	
	-->
	<xsd:element name="RegNum">
		<xsd:complexType>
			<xsd:sequence>
				<xsd:element name="nCASRNum" type="xsd:integer" minOccurs="0"/>
				<xsd:element name="nOrgNum" type="xsd:integer" minOccurs="0"/>
			</xsd:sequence>
		</xsd:complexType>
	</xsd:element>
	<!--
	
	-->
	<xsd:element name="Solvent">
		<xsd:complexType>
			<xsd:sequence>
				<xsd:element ref="RegNum" maxOccurs="unbounded"/>
			</xsd:sequence>
		</xsd:complexType>
	</xsd:element>
	<!--
	
	-->
	<xsd:complexType name="ConstraintVariableType">
		<xsd:choice>
			<xsd:element name="eTemperature">
				<xsd:simpleType>
					<xsd:restriction base="xsd:string">
						<xsd:enumeration value="Temperature, K"/>
						<xsd:enumeration value="Upper temperature, K"/>
						<xsd:enumeration value="Lower temperature, K"/>
					</xsd:restriction>
				</xsd:simpleType>
			</xsd:element>
			<xsd:element name="ePressure">
				<xsd:simpleType>
					<xsd:restriction base="xsd:string">
						<xsd:enumeration value="Pressure, kPa"/>
						<xsd:enumeration value="Partial pressure, kPa"/>
						<xsd:enumeration value="Upper pressure, kPa"/>
						<xsd:enumeration value="Lower pressure, kPa"/>
					</xsd:restriction>
				</xsd:simpleType>
			</xsd:element>
			<xsd:element name="eComponentComposition">
				<xsd:simpleType>
					<xsd:restriction base="xsd:string">
						<xsd:enumeration value="Mole fraction"/>
						<xsd:enumeration value="Mass fraction"/>
						<xsd:enumeration value="MolaLity, mol/kg"/>
						<xsd:enumeration value="MolaRity, mol/dm3"/>
						<xsd:enumeration value="Volume fraction"/>
						<xsd:enumeration value="Moles per mass of solution, mol/kg"/>
						<xsd:enumeration value="Mass per volume of solution, kg/m3"/>
						<xsd:enumeration value="Mole ratio to solvent"/>
						<xsd:enumeration value="Mass ratio to solvent"/>
						<xsd:enumeration value="Volume ratio to solvent"/>
						<xsd:enumeration value="Activity"/>
						<xsd:enumeration value="Activity coefficient"/>
					</xsd:restriction>
				</xsd:simpleType>
			</xsd:element>
			<xsd:element name="eSolventComposition">
				<xsd:simpleType>
					<xsd:restriction base="xsd:string">
						<xsd:enumeration value="Solvent: Mole fraction"/>
						<xsd:enumeration value="Solvent: Mass fraction"/>
						<xsd:enumeration value="Solvent: Volume fraction"/>
						<xsd:enumeration value="Solvent: MolaLity, mol/kg"/>
						<xsd:enumeration value="Solvent: MolaRity, mol/dm3"/>
						<xsd:enumeration value="Solvent: Mole ratio to other component of binary solvent"/>
						<xsd:enumeration value="Solvent: Mass ratio to other component of binary solvent"/>
						<xsd:enumeration value="Solvent: Volume ratio to other component of binary solvent"/>
					</xsd:restriction>
				</xsd:simpleType>
			</xsd:element>
			<xsd:element name="eMiscellaneous">
				<xsd:simpleType>
					<xsd:restriction base="xsd:string">
						<xsd:enumeration value="Wavelength, nm"/>
						<xsd:enumeration value="Molar volume, m3/mol"/>
						<xsd:enumeration value="Specific volume, m3/kg"/>
						<xsd:enumeration value="Density, kg/m3"/>
						<xsd:enumeration value="Molar density, mol/m3"/>
						<xsd:enumeration value="Entropy, J/K/mol"/>
					</xsd:restriction>
				</xsd:simpleType>
			</xsd:element>
		</xsd:choice>
	</xsd:complexType>
</xsd:schema>

