Chemical Properties of Succinic acid, tridec-2-yn-1-yl trans-4-methylcyclohexyl ester

Succinic acid, tridec-2-yn-1-yl trans-4-methylcyclohexyl ester

InChI
InChI=1S/C24H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-20-27-23(25)18-19-24(26)28-22-16-14-21(2)15-17-22/h21-22H,3-11,14-20H2,1-2H3
InChI Key
NSRULGOTUPNZFY-UHFFFAOYSA-N
Formula
C24H40O4
SMILES
CCCCCCCCCCC#CCOC(=O)CCC(=O)OC1CCC(C)CC1
Molecular Weight1
392.57
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.

Physical Properties

Property Value Unit Source
ΔfusH° 62.68 kJ/mol Joback Calculated Property
ΔvapH° 117.08 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 5.966 Crippen Calculated Property
McVol 344.440 ml/mol McGowan Calculated Property
Inp [2842.00; 2842.00]   Show Hide
Inp 2842.00 NIST
Inp 2842.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [494.54; 1204.34] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.02180e+01
Coefficient B2.12004e+00
Coefficient C-1.02606e-03
Coefficient D1.20580e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 494.54 J/mol×K 273.00 Calculated Property
Cp,gas 616.72 J/mol×K 353.78 Calculated Property
Cp,gas 727.19 J/mol×K 434.56 Calculated Property
Cp,gas 826.32 J/mol×K 515.33 Calculated Property
Cp,gas 914.49 J/mol×K 596.11 Calculated Property
Cp,gas 992.09 J/mol×K 676.89 Calculated Property
Cp,gas 1059.49 J/mol×K 757.67 Calculated Property
Cp,gas 1117.08 J/mol×K 838.44 Calculated Property
Cp,gas 1165.24 J/mol×K 919.22 Calculated Property
Cp,gas 1204.34 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, tridec-2-yn-1-yl cis-4-methylcyclohexyl ester. Glutaric acid, 3,4-dimethylcyclohexyl tridec-2-yn-1-yl ester. Glutaric acid, tridec-2-yn-1-yl trans-4-tert-butylcyclohexyl ester. Glutaric acid, tridec-2-yn-1-yl cis-4-tert-butylcyclohexyl ester. Succinic acid, tridec-2-yn-1-yl 4-octyl ester. Succinic acid, tridec-2-yn-1-yl 3-heptyl ester. Succinic acid, tridec-2-yn-1-yl 4-methylpent-2-yl ester. Succinic acid, tridec-2-yn-1-yl cyclopentyl ester. Glutaric acid, tridec-2-yn-1-yl 2-methylhex-3-yl ester. Succinic acid, tridec-2-yn-1-yl 4-heptyl ester. Succinic acid, tridec-2-yn-1-yl 2-heptyl ester. Succinic acid, tridec-2-yn-1-yl 3-hexyl ester. Succinic acid, tridec-2-yn-1-yl 2-hexyl ester. Glutaric acid, 1-cyclopentylethyl tridec-2-yn-1-yl ester. Glutaric acid, tridec-2-yn-1-yl 4-methylpent-2-yl ester.

Find more compounds similar to Succinic acid, tridec-2-yn-1-yl trans-4-methylcyclohexyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.