Mixture of Propanoic acid, propyl ester + Butane, 1,4-dichloro-

Name: Propanoic acid, propyl ester
InChI: InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3
InChI Key: MCSINKKTEDDPNK-UHFFFAOYSA-N
Formula: C6H12O2
SMILES: CCCOC(=O)CC
Mol. Weight (g/mol): 116.16
CAS: 106-36-5

Name: Butane, 1,4-dichloro-
InChI: InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2
InChI Key: KJDRSWPQXHESDQ-UHFFFAOYSA-N
Formula: C4H8Cl2
SMILES: ClCCCCCl
Mol. Weight (g/mol): 127.01
CAS: 110-56-5

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Datasets

Excess molar enthalpy (molar enthalpy (2)
ρ_l - Mass density, kg/m3 (2)

Excess molar enthalpy (molar enthalpy of mixing), kJ/mol [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid)
Temperature, K = 298.15 (Liquid)

Mole fraction of Propanoic acid, propyl ester (1) - Liquid	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol - Liquid
0.0573	-0.0260
0.1330	-0.0630
0.2168	-0.1290
0.3006	-0.1930
0.3810	-0.2500
0.4539	-0.2970
0.5117	-0.3110
0.5559	-0.3110
0.6419	-0.2970
0.7366	-0.2600
0.8338	-0.1870
0.9261	-0.0950

Excess molar enthalpy (molar enthalpy of mixing), kJ/mol [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid)
Temperature, K = 298.15 (Liquid)

Mole fraction of Propanoic acid, propyl ester (1) - Liquid	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol - Liquid
0.0573	-0.0260
0.1330	-0.0630
0.2168	-0.1290
0.3006	-0.1930
0.3810	-0.2500
0.4539	-0.2970
0.5117	-0.3110
0.5559	-0.3110
0.6419	-0.2970
0.7366	-0.2600
0.8338	-0.1870
0.9261	-0.0950

Mass density, kg/m3 [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid)
Temperature, K = 298.15 (Liquid)

Mole fraction of Propanoic acid, propyl ester (1) - Liquid	Mass density, kg/m3 - Liquid
0.0527	1118.03
0.1038	1102.83
0.1547	1087.98
0.2085	1072.56
0.2627	1057.37
0.3186	1041.98
0.3736	1027.16
0.4900	996.65
0.5485	981.77
0.6120	965.97
0.6735	950.93
0.7351	936.2
0.8004	920.88
0.8660	905.76
0.9333	890.53
1.0000	875.61

Mass density, kg/m3 [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid)
Temperature, K = 298.15 (Liquid)

Mole fraction of Propanoic acid, propyl ester (1) - Liquid	Mass density, kg/m3 - Liquid
0.0527	1118.03
0.1038	1102.83
0.1547	1087.98
0.2085	1072.56
0.2627	1057.37
0.3186	1041.98
0.3736	1027.16
0.4900	996.65
0.5485	981.77
0.6120	965.97
0.6735	950.93
0.7351	936.2
0.8004	920.88
0.8660	905.76
0.9333	890.53
1.0000	875.61

Sources

Thermodynamic study of (alkyl esters + a,x-alkyl dihalides) VII. HE m and VE m for 20 binary mixtures {xCu 1H2u 1CO2C3H7 + (1 x)a,x-ClCH2(CH2)v 2CH2Cl}, where u = 1 to 4, a = 1 and v = x = 2 to 6. An analysis of behavior using the COSMO-RS methodology