Mixture of Propanoic acid, propyl ester + Propane, 1,3-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: Propane, 1,3-dichloro-
InChI: InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2
InChI Key: YHRUOJUYPBUZOS-UHFFFAOYSA-N
Formula: C3H6Cl2
SMILES: ClCCCCl
Mol. Weight (g/mol): 112.99
CAS: 142-28-9

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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
0.0469	-0.0390
0.1103	-0.0870
0.1814	-0.1510
0.2562	-0.2280
0.3312	-0.2890
0.4023	-0.3360
0.4661	-0.3690
0.5280	-0.3880
0.6046	-0.3740
0.7060	-0.3320
0.8160	-0.2410
0.9152	-0.1330

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
0.0469	-0.0390
0.1103	-0.0870
0.1814	-0.1510
0.2562	-0.2280
0.3312	-0.2890
0.4023	-0.3360
0.4661	-0.3690
0.5280	-0.3880
0.6046	-0.3740
0.7060	-0.3320
0.8160	-0.2410
0.9152	-0.1330

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
0.0456	1160.2
0.0900	1142.38
0.1357	1124.66
0.1827	1107.03
0.2323	1089.1
0.2857	1070.52
0.3377	1053.06
0.3926	1035.32
0.5112	999.15
0.5749	980.88
0.6382	963.43
0.7097	944.54
0.7804	926.67
0.8459	910.76
0.9232	892.71
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
0.0456	1160.2
0.0900	1142.38
0.1357	1124.66
0.1827	1107.03
0.2323	1089.1
0.2857	1070.52
0.3377	1053.06
0.3926	1035.32
0.5112	999.15
0.5749	980.88
0.6382	963.43
0.7097	944.54
0.7804	926.67
0.8459	910.76
0.9232	892.71
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