Chemical Properties of Fumaric acid, 2-methylpentyl tridec-2-yn-1-yl ester

Fumaric acid, 2-methylpentyl tridec-2-yn-1-yl ester

InChI
InChI=1S/C23H38O4/c1-4-6-7-8-9-10-11-12-13-14-15-19-26-22(24)17-18-23(25)27-20-21(3)16-5-2/h17-18,21H,4-13,16,19-20H2,1-3H3/b18-17-
InChI Key
WGEGKZKCWIOURO-ISLYRVAYSA-N
Formula
C23H38O4
SMILES
CCCCCCCCCCC#CCOC(=O)/C=C/C(=O)OCC(C)CCC
Molecular Weight1
378.55
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° 63.87 kJ/mol Joback Calculated Property
logPoct/wat 5.599 Crippen Calculated Property
McVol 336.910 ml/mol McGowan Calculated Property
Inp [2651.00; 2651.00]   Show Hide
Inp 2651.00 NIST
Inp 2651.00 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, Enthalpy of vaporization 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 [494.86; 1130.97] 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 A3.44930e+01
Coefficient B1.95536e+00
Coefficient C-1.03306e-03
Coefficient D1.74180e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 494.86 J/mol×K 273.00 Calculated Property
Cp,gas 604.67 J/mol×K 353.78 Calculated Property
Cp,gas 703.42 J/mol×K 434.56 Calculated Property
Cp,gas 791.64 J/mol×K 515.33 Calculated Property
Cp,gas 869.90 J/mol×K 596.11 Calculated Property
Cp,gas 938.75 J/mol×K 676.89 Calculated Property
Cp,gas 998.73 J/mol×K 757.67 Calculated Property
Cp,gas 1050.39 J/mol×K 838.44 Calculated Property
Cp,gas 1094.29 J/mol×K 919.22 Calculated Property
Cp,gas 1130.97 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, 2-ethylhexyl tridec-2-yn-1-yl ester. Fumaric acid, 2-ethylbutyl tridec-2-yn-1-yl ester. Fumaric acid, 2,4,4-trimethylpentyl tridec-2-yn-1-yl ester. Fumaric acid, 2-ethylhexyl hex-4-yn-3-yl ester. Fumaric acid, 3-methylbutyl tridec-2-yn-1-yl ester. Fumaric acid, 2-methylpentyl 2-ethylhexyl ester. Fumaric acid, dodecyl 2-methylpentyl ester. Fumaric acid, 2-methylpentyl octadecyl ester. Fumaric acid, decyl 2-methylpentyl ester. Fumaric acid, 2-methylpentyl octyl ester. Fumaric acid, hexadecyl 2-methylpentyl ester. Fumaric acid, 2-methylpentyl tetradecyl ester. Fumaric acid, 2-methylpentyl undecyl ester. Fumaric acid, 2-methylpentyl nonadecyl ester. Fumaric acid, heptadecyl 2-methylpentyl ester.

Find more compounds similar to Fumaric acid, 2-methylpentyl tridec-2-yn-1-yl 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.