Mixture of Propanoic acid, propyl ester + Hexane, 1,6-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: Hexane, 1,6-dichloro-
InChI: InChI=1S/C6H12Cl2/c7-5-3-1-2-4-6-8/h1-6H2
InChI Key: OVISMSJCKCDOPU-UHFFFAOYSA-N
Formula: C6H12Cl2
SMILES: ClCCCCCCCl
Mol. Weight (g/mol): 155.06
CAS: 2163-00-0

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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
0.0728	-0.0250
0.1664	-0.0550
0.2656	-0.0970
0.3635	-0.1480
0.4374	-0.1750
0.4861	-0.1920
0.5174	-0.2020
0.5675	-0.2070
0.6298	-0.2020
0.7081	-0.1800
0.7895	-0.1560
0.8738	-0.0990
0.9478	-0.0460

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
0.0728	-0.0250
0.1664	-0.0550
0.2656	-0.0970
0.3635	-0.1480
0.4374	-0.1750
0.4861	-0.1920
0.5174	-0.2020
0.5675	-0.2070
0.6298	-0.2020
0.7081	-0.1800
0.7895	-0.1560
0.8738	-0.0990
0.9478	-0.0460

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
0.0665	1052.5
0.1321	1041.17
0.1948	1030.19
0.2568	1019.24
0.3171	1008.42
0.3785	997.31
0.5560	964.22
0.7294	930.71
0.7852	919.58
0.8399	908.58
0.8955	897.26
0.9490	886.33
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
0.0665	1052.5
0.1321	1041.17
0.1948	1030.19
0.2568	1019.24
0.3171	1008.42
0.3785	997.31
0.5560	964.22
0.7294	930.71
0.7852	919.58
0.8399	908.58
0.8955	897.26
0.9490	886.33
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