Mixture of Hexane, 1,6-dibromo- + Methyl valerate

Name: Hexane, 1,6-dibromo-
InChI: InChI=1S/C6H12Br2/c7-5-3-1-2-4-6-8/h1-6H2
InChI Key: SGRHVVLXEBNBDV-UHFFFAOYSA-N
Formula: C6H12Br2
SMILES: BrCCCCCCBr
Mol. Weight (g/mol): 243.97
CAS: 629-03-8

Name: Methyl valerate
InChI: InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3
InChI Key: HNBDRPTVWVGKBR-UHFFFAOYSA-N
Formula: C6H12O2
SMILES: CCCCC(=O)OC
Mol. Weight (g/mol): 116.16
CAS: 624-24-8

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:

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

Mole fraction of Methyl valerate (2) - Liquid	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol - Liquid
0.0734	0.0450
0.1653	0.0758
0.2640	0.0903
0.3507	0.0949
0.4180	0.0893
0.4743	0.0782
0.5227	0.0644
0.5866	0.0437
0.6386	0.0294
0.7160	0.0105
0.7966	0.0002
0.8790	-0.0033
0.9483	-0.0005

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

Operational conditions:

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

Mole fraction of Methyl valerate (2) - Liquid	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol - Liquid
0.0734	0.0450
0.1653	0.0758
0.2640	0.0903
0.3507	0.0949
0.4180	0.0893
0.4743	0.0782
0.5227	0.0644
0.5866	0.0437
0.6386	0.0294
0.7160	0.0105
0.7966	0.0002
0.8790	-0.0033
0.9483	-0.0005

Mass density, kg/m3 [ref]

Operational conditions:

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

Mole fraction of Methyl valerate (2) - Liquid	Mass density, kg/m3 - Liquid
0.0703	1557.19
0.1394	1513.24
0.2633	1432.4
0.3222	1392.97
0.3842	1350.7
0.4472	1306.98
0.5076	1264.24
0.5698	1219.49
0.6817	1136.77
0.7372	1094.69
0.8445	1011.22
0.8993	967.47
0.9450	930.4

Mass density, kg/m3 [ref]

Operational conditions:

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

Mole fraction of Methyl valerate (2) - Liquid	Mass density, kg/m3 - Liquid
0.0703	1557.19
0.1394	1513.24
0.2633	1432.4
0.3222	1392.97
0.3842	1350.7
0.4472	1306.98
0.5076	1264.24
0.5698	1219.49
0.6817	1136.77
0.7372	1094.69
0.8445	1011.22
0.8993	967.47
0.9450	930.4

Sources

Thermodynamic study of (alkyl esters + alpha,omega-alkyl dihalides) IV: Hex and Vex for 25 binary mixtures {xC(u-1)H(2u-1)CO2CH3 + (1-x)alpha,omega-BrCH2(CH2)(v-2)CH2Br}, where u = 1 to 5, alpha = 1 and v = omega = 2 to 6