Mixture of Butane, 1,4-dichloro- + n-Propyl acetate

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

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

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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 n-Propyl acetate (2) - Liquid	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol - Liquid
0.0555	-0.0200
0.1316	-0.0550
0.2183	-0.0980
0.3079	-0.1500
0.3915	-0.2010
0.4560	-0.2300
0.4663	-0.2340
0.4979	-0.2410
0.5721	-0.2360
0.6576	-0.2190
0.7494	-0.1870
0.8443	-0.1330
0.9296	-0.0730

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 (2) - Liquid	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol - Liquid
0.0555	-0.0200
0.1316	-0.0550
0.2183	-0.0980
0.3079	-0.1500
0.3915	-0.2010
0.4560	-0.2300
0.4663	-0.2340
0.4979	-0.2410
0.5721	-0.2360
0.6576	-0.2190
0.7494	-0.1870
0.8443	-0.1330
0.9296	-0.0730

Mass density, kg/m3 [ref]

Operational conditions:

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

Mole fraction of n-Propyl acetate (2) - Liquid	Mass density, kg/m3 - Liquid
0.0583	1118.51
0.1175	1103.2
0.1743	1088.55
0.2320	1073.72
0.3494	1043.76
0.4650	1014.55
0.5230	999.98
0.5845	984.6
0.6424	970.19
0.7011	955.64
0.7618	940.61
0.8813	911.2
0.9397	896.91
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 (2) - Liquid	Mass density, kg/m3 - Liquid
0.0583	1118.51
0.1175	1103.2
0.1743	1088.55
0.2320	1073.72
0.3494	1043.76
0.4650	1014.55
0.5230	999.98
0.5845	984.6
0.6424	970.19
0.7011	955.64
0.7618	940.61
0.8813	911.2
0.9397	896.91
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