ThermoML Data file

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Information on ThermoML

<?xml version="1.0" encoding="UTF-8"?>  <DataReport xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="http://www.trc.nist.gov/ThermoML.xsd"> <Version> <nVersionMajor>2</nVersionMajor> <nVersionMinor>0</nVersionMinor> </Version> <Citation> <TRCRefID> <yrYrPub>2005</yrYrPub> <sAuthor1>bil</sAuthor1> <sAuthor2>kir</sAuthor2> <nAuthorn>0</nAuthorn> </TRCRefID> <eType>journal</eType> <eSourceType>Original</eSourceType> <sAuthor>Bilgin, M.[Mehmet]</sAuthor> <sAuthor>Kirbaslar, S. I.</sAuthor> <sAuthor>Ozcan, O.[Onder]</sAuthor> <sAuthor>Dramur, U.[Umur]</sAuthor> <sPubName>J. Chem. Thermodyn.</sPubName> <yrPubYr>2005</yrPubYr> <dateCit>2005-03-23</dateCit> <sTitle>(Liquid + liquid) equilibria of (water + butyric acid + isoamyl alcohol) ternary system</sTitle> <sKeyword>Butyric acid</sKeyword> <sKeyword>Isoamyl alcohol</sKeyword> <sKeyword>Liquid + liquid equilibria</sKeyword> <sKeyword>UNIFAC</sKeyword> <sVol>37</sVol> <sPage>297-303</sPage> </Citation> <Compound> <RegNum> <nOrgNum>1</nOrgNum> </RegNum> <sCommonName>water</sCommonName> <sFormulaMolec>H2O</sFormulaMolec> <Sample> <nSampleNm>1</nSampleNm> <eSource>Commercial source</eSource> <purity> <nStep>1</nStep> <ePurifMethod>Fractional distillation</ePurifMethod> </purity> <purity> <nStep>1</nStep> <nPurityMol>99.9</nPurityMol> <nPurityMolDigits>3</nPurityMolDigits> <eAnalMeth>Estimated by the compiler</eAnalMeth> </purity> </Sample> </Compound> <Compound> <RegNum> <nOrgNum>2</nOrgNum> </RegNum> <sCommonName>butanoic acid</sCommonName> <sFormulaMolec>C4H8O2</sFormulaMolec> <Sample> <nSampleNm>1</nSampleNm> <eSource>Commercial source</eSource> <purity> <nStep>1</nStep> <ePurifMethod>None used</ePurifMethod> </purity> <purity> <nStep>1</nStep> <nPurityMass>99</nPurityMass> <nPurityMassDigits>2</nPurityMassDigits> <eAnalMeth>Not known</eAnalMeth> </purity> </Sample> </Compound> <Compound> <RegNum> <nOrgNum>3</nOrgNum> </RegNum> <sCommonName>3-methyl-1-butanol</sCommonName> <sFormulaMolec>C5H12O</sFormulaMolec> <Sample> <nSampleNm>1</nSampleNm> <eSource>Commercial source</eSource> <purity> <nStep>1</nStep> <ePurifMethod>None used</ePurifMethod> </purity> <purity> <nStep>1</nStep> <nPurityMass>98</nPurityMass> <nPurityMassDigits>2</nPurityMassDigits> <eAnalMeth>Not known</eAnalMeth> </purity> </Sample> </Compound> <PureOrMixtureData> <Component> <RegNum> <nOrgNum>1</nOrgNum> </RegNum> <nSampleNm>1</nSampleNm> </Component> <eExpPurpose>Principal objective of the work</eExpPurpose> <sCompiler>XML</sCompiler> <sContributor>XML</sContributor> <dateDateAdded>3/15/2005</dateDateAdded> <Property> <nPropNumber>1</nPropNumber> <Property-MethodID> <PropertyGroup> <VolumetricProp> <ePropName>Mass density, kg/m3</ePropName> <sMethodName>Other</sMethodName> </VolumetricProp> </PropertyGroup> </Property-MethodID> <PropPhaseID> <ePropPhase>Liquid</ePropPhase> </PropPhaseID> <ePresentation>Direct value, X</ePresentation> <PropUncertainty> <nUncertAssessNum>1</nUncertAssessNum> <sUncertEvaluator>Author</sUncertEvaluator> </PropUncertainty> </Property> <PhaseID> <ePhase>Liquid</ePhase> </PhaseID> <Constraint> <ConstraintID> <ConstraintType> <ePressure>Pressure, kPa</ePressure> </ConstraintType> </ConstraintID> <nConstraintValue>101.325</nConstraintValue> <nConstrDigits>6</nConstrDigits> </Constraint> <Variable> <nVarNumber>1</nVarNumber> <VariableID> <VariableType> <eTemperature>Temperature, K</eTemperature> </VariableType> </VariableID> </Variable> <NumValues> <VariableValue> <nVarNumber>1</nVarNumber> <nVarValue>293.15</nVarValue> <nVarDigits>5</nVarDigits> </VariableValue> 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<nPropNumber>1</nPropNumber> <Property-MethodID> <PropertyGroup> <RefractionSurfaceTensionSoundSpeed> <ePropName>Refractive index (Na D-line)</ePropName> <sMethodName>Other</sMethodName> </RefractionSurfaceTensionSoundSpeed> </PropertyGroup> </Property-MethodID> <PropPhaseID> <ePropPhase>Liquid</ePropPhase> </PropPhaseID> <ePresentation>Direct value, X</ePresentation> </Property> <PhaseID> <ePhase>Liquid</ePhase> </PhaseID> <Constraint> <ConstraintID> <ConstraintType> <ePressure>Pressure, kPa</ePressure> </ConstraintType> </ConstraintID> <nConstraintValue>101.325</nConstraintValue> <nConstrDigits>6</nConstrDigits> </Constraint> <Variable> <nVarNumber>1</nVarNumber> <VariableID> <VariableType> <eTemperature>Temperature, K</eTemperature> </VariableType> </VariableID> </Variable> <NumValues> <VariableValue> <nVarNumber>1</nVarNumber> <nVarValue>293.15</nVarValue> <nVarDigits>5</nVarDigits> </VariableValue> <PropertyValue> <nPropNumber>1</nPropNumber> <nPropValue>1.3982</nPropValue> <nPropDigits>5</nPropDigits> </PropertyValue> </NumValues> </PureOrMixtureData> <PureOrMixtureData> <Component> <RegNum> <nOrgNum>2</nOrgNum> </RegNum> <nSampleNm>1</nSampleNm> </Component> <eExpPurpose>Principal objective of the work</eExpPurpose> <sCompiler>XML</sCompiler> <sContributor>XML</sContributor> <dateDateAdded>3/15/2005</dateDateAdded> <Property> <nPropNumber>1</nPropNumber> <Property-MethodID> <PropertyGroup> <VaporPBoilingTAzeotropTandP> <ePropName>Normal boiling temperature, K</ePropName> <sMethodName>Fisher boiling point apparatus</sMethodName> </VaporPBoilingTAzeotropTandP> </PropertyGroup> </Property-MethodID> <PropPhaseID> <ePropPhase>Liquid</ePropPhase> </PropPhaseID> <ePresentation>Direct value, X</ePresentation> <PropUncertainty> <nUncertAssessNum>1</nUncertAssessNum> <sUncertEvaluator>Author</sUncertEvaluator> </PropUncertainty> </Property> <PhaseID> <ePhase>Liquid</ePhase> </PhaseID> <PhaseID> <ePhase>Gas</ePhase> </PhaseID> <NumValues> <PropertyValue> <nPropNumber>1</nPropNumber> <nPropValue>436.67</nPropValue> <nPropDigits>5</nPropDigits> <PropUncertainty> <nUncertAssessNum>1</nUncertAssessNum> <nStdUncertValue>.1</nStdUncertValue> </PropUncertainty> </PropertyValue> </NumValues> </PureOrMixtureData> <PureOrMixtureData> <Component> <RegNum> <nOrgNum>3</nOrgNum> </RegNum> <nSampleNm>1</nSampleNm> </Component> <eExpPurpose>Principal objective of the work</eExpPurpose> <sCompiler>XML</sCompiler> <sContributor>XML</sContributor> <dateDateAdded>3/15/2005</dateDateAdded> <Property> <nPropNumber>1</nPropNumber> <Property-MethodID> <PropertyGroup> <VolumetricProp> <ePropName>Mass density, kg/m3</ePropName> <sMethodName>Other</sMethodName> </VolumetricProp> </PropertyGroup> </Property-MethodID> <PropPhaseID> <ePropPhase>Liquid</ePropPhase> </PropPhaseID> <ePresentation>Direct value, X</ePresentation> <PropUncertainty> <nUncertAssessNum>1</nUncertAssessNum> <sUncertEvaluator>Author</sUncertEvaluator> <nUncertLevOfConfid>95</nUncertLevOfConfid> </PropUncertainty> <PropRepeatability> <sRepeatEvaluator>Author</sRepeatEvaluator> <eRepeatMethod>Standard deviation of a single value (unbiased)</eRepeatMethod> </PropRepeatability> </Property> <PhaseID> <ePhase>Liquid</ePhase> </PhaseID> <Constraint> <ConstraintID> <ConstraintType> <ePressure>Pressure, kPa</ePressure> </ConstraintType> </ConstraintID> <nConstraintValue>101.325</nConstraintValue> <nConstrDigits>6</nConstrDigits> </Constraint> <Variable> <nVarNumber>1</nVarNumber> <VariableID> <VariableType> <eTemperature>Temperature, K</eTemperature> </VariableType> </VariableID> </Variable> <NumValues> <VariableValue> <nVarNumber>1</nVarNumber> <nVarValue>293.15</nVarValue> <nVarDigits>5</nVarDigits> </VariableValue> <PropertyValue> <nPropNumber>1</nPropNumber> <nPropValue>808.4</nPropValue> <nPropDigits>4</nPropDigits> <PropUncertainty> <nUncertAssessNum>1</nUncertAssessNum> <nExpandUncertValue>1</nExpandUncertValue> </PropUncertainty> <PropRepeatability> <nPropRepeatValue>1</nPropRepeatValue> <nRepetitions>1</nRepetitions> </PropRepeatability> </PropertyValue> </NumValues> </PureOrMixtureData> <PureOrMixtureData> <Component> <RegNum> <nOrgNum>3</nOrgNum> </RegNum> <nSampleNm>1</nSampleNm> </Component> <eExpPurpose>Principal objective of the work</eExpPurpose> <sCompiler>XML</sCompiler> <sContributor>XML</sContributor> <dateDateAdded>3/15/2005</dateDateAdded> <Property> <nPropNumber>1</nPropNumber> <Property-MethodID> <PropertyGroup> <RefractionSurfaceTensionSoundSpeed> <ePropName>Refractive index (Na D-line)</ePropName> <sMethodName>Other</sMethodName> </RefractionSurfaceTensionSoundSpeed> </PropertyGroup> </Property-MethodID> <PropPhaseID> <ePropPhase>Liquid</ePropPhase> </PropPhaseID> <ePresentation>Direct value, X</ePresentation> </Property> <PhaseID> <ePhase>Liquid</ePhase> </PhaseID> <Constraint> <ConstraintID> <ConstraintType> <ePressure>Pressure, kPa</ePressure> </ConstraintType> </ConstraintID> <nConstraintValue>101.325</nConstraintValue> <nConstrDigits>6</nConstrDigits> </Constraint> <Variable> <nVarNumber>1</nVarNumber> <VariableID> <VariableType> <eTemperature>Temperature, K</eTemperature> </VariableType> </VariableID> </Variable> <NumValues> <VariableValue> <nVarNumber>1</nVarNumber> <nVarValue>293.15</nVarValue> <nVarDigits>5</nVarDigits> </VariableValue> <PropertyValue> <nPropNumber>1</nPropNumber> <nPropValue>1.4075</nPropValue> <nPropDigits>5</nPropDigits> </PropertyValue> </NumValues> </PureOrMixtureData> <PureOrMixtureData> <Component> <RegNum> <nOrgNum>3</nOrgNum> </RegNum> <nSampleNm>1</nSampleNm> </Component> <eExpPurpose>Principal objective of the work</eExpPurpose> <sCompiler>XML</sCompiler> <sContributor>XML</sContributor> <dateDateAdded>3/15/2005</dateDateAdded> <Property> <nPropNumber>1</nPropNumber> <Property-MethodID> <PropertyGroup> <VaporPBoilingTAzeotropTandP> <ePropName>Normal boiling temperature, K</ePropName> <sMethodName>Fisher boiling point apparatus</sMethodName> </VaporPBoilingTAzeotropTandP> </PropertyGroup> </Property-MethodID> <PropPhaseID> <ePropPhase>Liquid</ePropPhase> </PropPhaseID> <ePresentation>Direct value, X</ePresentation> <PropUncertainty> <nUncertAssessNum>1</nUncertAssessNum> <sUncertEvaluator>Author</sUncertEvaluator> </PropUncertainty> </Property> <PhaseID> <ePhase>Liquid</ePhase> </PhaseID> <PhaseID> <ePhase>Gas</ePhase> </PhaseID> <NumValues> <PropertyValue> <nPropNumber>1</nPropNumber> <nPropValue>404.55</nPropValue> <nPropDigits>5</nPropDigits> <PropUncertainty> <nUncertAssessNum>1</nUncertAssessNum> <nStdUncertValue>.1</nStdUncertValue> </PropUncertainty> </PropertyValue> </NumValues> </PureOrMixtureData> <PureOrMixtureData> <Component> <RegNum> <nOrgNum>2</nOrgNum> </RegNum> <nSampleNm>1</nSampleNm> </Component> <Component> <RegNum> <nOrgNum>3</nOrgNum> </RegNum> <nSampleNm>1</nSampleNm> </Component> <Component> <RegNum> <nOrgNum>1</nOrgNum> </RegNum> <nSampleNm>1</nSampleNm> </Component> <eExpPurpose>Principal objective of the work</eExpPurpose> <sCompiler>JCE</sCompiler> <sContributor>JCE</sContributor> <dateDateAdded>3/23/2005</dateDateAdded> <Property> <nPropNumber>1</nPropNumber> <Property-MethodID> <PropertyGroup> <CompositionAtPhaseEquilibrium> <ePropName>Mole fraction</ePropName> <sMethodName>Other</sMethodName> </CompositionAtPhaseEquilibrium> </PropertyGroup> <RegNum> <nOrgNum>2</nOrgNum> </RegNum> </Property-MethodID> <PropPhaseID> <ePropPhase>Liquid mixture 1</ePropPhase> </PropPhaseID> <ePresentation>Direct value, X</ePresentation> </Property> <Property> <nPropNumber>2</nPropNumber> <Property-MethodID> <PropertyGroup> <CompositionAtPhaseEquilibrium> <ePropName>Mole fraction</ePropName> <sMethodName>Other</sMethodName> </CompositionAtPhaseEquilibrium> </PropertyGroup> <RegNum> <nOrgNum>2</nOrgNum> </RegNum> </Property-MethodID> <PropPhaseID> <ePropPhase>Liquid mixture 2</ePropPhase> </PropPhaseID> <ePresentation>Direct value, X</ePresentation> </Property> <Property> <nPropNumber>3</nPropNumber> <Property-MethodID> <PropertyGroup> <CompositionAtPhaseEquilibrium> <ePropName>Mole fraction</ePropName> <sMethodName>Other</sMethodName> </CompositionAtPhaseEquilibrium> </PropertyGroup> <RegNum> <nOrgNum>1</nOrgNum> </RegNum> </Property-MethodID> <PropPhaseID> <ePropPhase>Liquid mixture 2</ePropPhase> </PropPhaseID> <ePresentation>Direct value, X</ePresentation> </Property> <PhaseID> <ePhase>Liquid mixture 1</ePhase> </PhaseID> <PhaseID> <ePhase>Liquid mixture 2</ePhase> </PhaseID> <Constraint> <ConstraintID> <ConstraintType> <ePressure>Pressure, kPa</ePressure> </ConstraintType> </ConstraintID> <nConstraintValue>101.3</nConstraintValue> <nConstrDigits>4</nConstrDigits> </Constraint> <Variable> <nVarNumber>1</nVarNumber> <VariableID> <VariableType> <eTemperature>Temperature, K</eTemperature> </VariableType> </VariableID> <VarUncertainty> <nUncertAssessNum>1</nUncertAssessNum> <sUncertEvaluator>Author</sUncertEvaluator> </VarUncertainty> </Variable> <Variable> <nVarNumber>2</nVarNumber> <VariableID> <VariableType> <eComponentComposition>Mole fraction</eComponentComposition> </VariableType> <RegNum> <nOrgNum>1</nOrgNum> </RegNum> </VariableID> <VarPhaseID> <eVarPhase>Liquid mixture 1</eVarPhase> </VarPhaseID> </Variable> <NumValues> <VariableValue> <nVarNumber>1</nVarNumber> <nVarValue>298.15</nVarValue> <nVarDigits>5</nVarDigits> <VarUncertainty> <nUncertAssessNum>1</nUncertAssessNum> <nStdUncertValue>.1</nStdUncertValue> </VarUncertainty> </VariableValue> <VariableValue> <nVarNumber>2</nVarNumber> <nVarValue>.9677</nVarValue> <nVarDigits>4</nVarDigits> </VariableValue> <PropertyValue> <nPropNumber>1</nPropNumber> <nPropValue>.0082</nPropValue> <nPropDigits>2</nPropDigits> </PropertyValue> <PropertyValue> <nPropNumber>2</nPropNumber> <nPropValue>.1148</nPropValue> <nPropDigits>4</nPropDigits> </PropertyValue> <PropertyValue> <nPropNumber>3</nPropNumber> <nPropValue>.0852</nPropValue> <nPropDigits>3</nPropDigits> </PropertyValue> </NumValues> <NumValues> <VariableValue> <nVarNumber>1</nVarNumber> <nVarValue>298.15</nVarValue> <nVarDigits>5</nVarDigits> <VarUncertainty> <nUncertAssessNum>1</nUncertAssessNum> <nStdUncertValue>.1</nStdUncertValue> </VarUncertainty> </VariableValue> <VariableValue> <nVarNumber>2</nVarNumber> <nVarValue>.9563</nVarValue> <nVarDigits>4</nVarDigits> </VariableValue> <PropertyValue> <nPropNumber>1</nPropNumber> <nPropValue>.0195</nPropValue> <nPropDigits>3</nPropDigits> </PropertyValue> <PropertyValue> <nPropNumber>2</nPropNumber> <nPropValue>.238</nPropValue> <nPropDigits>4</nPropDigits> </PropertyValue> <PropertyValue> <nPropNumber>3</nPropNumber> <nPropValue>.0849</nPropValue> <nPropDigits>3</nPropDigits> </PropertyValue> </NumValues> <NumValues> <VariableValue> <nVarNumber>1</nVarNumber> <nVarValue>298.15</nVarValue> <nVarDigits>5</nVarDigits> <VarUncertainty> <nUncertAssessNum>1</nUncertAssessNum> <nStdUncertValue>.1</nStdUncertValue> </VarUncertainty> </VariableValue> <VariableValue> <nVarNumber>2</nVarNumber> <nVarValue>.947</nVarValue> <nVarDigits>4</nVarDigits> </VariableValue> <PropertyValue> <nPropNumber>1</nPropNumber> <nPropValue>.0286</nPropValue> <nPropDigits>3</nPropDigits> </PropertyValue> <PropertyValue> <nPropNumber>2</nPropNumber> <nPropValue>.325</nPropValue> <nPropDigits>4</nPropDigits> </PropertyValue> <PropertyValue> <nPropNumber>3</nPropNumber> <nPropValue>.0938</nPropValue> <nPropDigits>3</nPropDigits> </PropertyValue> </NumValues> <NumValues> <VariableValue> <nVarNumber>1</nVarNumber> <nVarValue>298.15</nVarValue> <nVarDigits>5</nVarDigits> <VarUncertainty> <nUncertAssessNum>1</nUncertAssessNum> <nStdUncertValue>.1</nStdUncertValue> </VarUncertainty> </VariableValue> <VariableValue> <nVarNumber>2</nVarNumber> <nVarValue>.9379</nVarValue> <nVarDigits>4</nVarDigits> </VariableValue> <PropertyValue> <nPropNumber>1</nPropNumber> <nPropValue>.0377</nPropValue> <nPropDigits>3</nPropDigits> </PropertyValue> 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