Mixture of n-Propyl acetate + Hexane, 1,6-dichloro-

Name: n-Propyl acetate
InChI: InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
InChI Key: YKYONYBAUNKHLG-UHFFFAOYSA-N
Formula: C5H10O2
SMILES: CCCOC(C)=O
Mol. Weight (g/mol): 102.13
CAS: 109-60-4

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

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

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 n-Propyl acetate (1) - Liquid	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol - Liquid
0.0861	0.0250
0.1716	0.0200
0.2676	-0.0130
0.3149	-0.0320
0.3896	-0.0610
0.4563	-0.0820
0.5169	-0.1000
0.5684	-0.1060
0.5761	-0.1030
0.6268	-0.1010
0.6841	-0.0920
0.7455	-0.0810
0.8101	-0.0640
0.8793	-0.0440
0.9463	-0.0240

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

Operational conditions:

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

Mole fraction of n-Propyl acetate (1) - Liquid	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol - Liquid
0.0861	0.0250
0.1716	0.0200
0.2676	-0.0130
0.3149	-0.0320
0.3896	-0.0610
0.4563	-0.0820
0.5169	-0.1000
0.5684	-0.1060
0.5761	-0.1030
0.6268	-0.1010
0.6841	-0.0920
0.7455	-0.0810
0.8101	-0.0640
0.8793	-0.0440
0.9463	-0.0240

Mass density, kg/m3 [ref]

Operational conditions:

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

Mole fraction of n-Propyl acetate (1) - Liquid	Mass density, kg/m3 - Liquid
0.0708	1053.44
0.1405	1042.95
0.2080	1032.5
0.2725	1022.22
0.3392	1011.28
0.4656	989.61
0.5840	968.14
0.6947	946.95
0.8017	925.34
0.8514	914.87
0.9020	903.96
0.9502	893.34
1.0000	882.08

Mass density, kg/m3 [ref]

Operational conditions:

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

Mole fraction of n-Propyl acetate (1) - Liquid	Mass density, kg/m3 - Liquid
0.0708	1053.44
0.1405	1042.95
0.2080	1032.5
0.2725	1022.22
0.3392	1011.28
0.4656	989.61
0.5840	968.14
0.6947	946.95
0.8017	925.34
0.8514	914.87
0.9020	903.96
0.9502	893.34
1.0000	882.08

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