Chemical Properties of Fumaric acid, 2,4,6-trichlorophenyl 3-methylbut-2-en-1-yl ester

Fumaric acid, 2,4,6-trichlorophenyl 3-methylbut-2-en-1-yl ester

InChI
InChI=1S/C15H13Cl3O4/c1-9(2)5-6-21-13(19)3-4-14(20)22-15-11(17)7-10(16)8-12(15)18/h3-5,7-8H,6H2,1-2H3/b4-3+
InChI Key
VTQFBEXHYFXHSG-ONEGZZNKSA-N
Formula
C15H13Cl3O4
SMILES
CC(C)=CCOC(=O)/C=C/C(=O)Oc1c(Cl)cc(Cl)cc1Cl
Molecular Weight1
363.62
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° 47.90 kJ/mol Joback Calculated Property
logPoct/wat 4.618 Crippen Calculated Property
McVol 241.450 ml/mol McGowan Calculated Property
Inp [2374.00; 2374.00]   Show Hide
Inp 2374.00 NIST
Inp 2374.00 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 [319.12; 645.14] 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 A5.96810e+01
Coefficient B1.12214e+00
Coefficient C-6.64180e-04
Coefficient D1.27500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 319.12 J/mol×K 273.00 Calculated Property
Cp,gas 379.19 J/mol×K 353.78 Calculated Property
Cp,gas 432.35 J/mol×K 434.56 Calculated Property
Cp,gas 479.02 J/mol×K 515.33 Calculated Property
Cp,gas 519.59 J/mol×K 596.11 Calculated Property
Cp,gas 554.47 J/mol×K 676.89 Calculated Property
Cp,gas 584.07 J/mol×K 757.67 Calculated Property
Cp,gas 608.77 J/mol×K 838.44 Calculated Property
Cp,gas 629.00 J/mol×K 919.22 Calculated Property
Cp,gas 645.14 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, 2,4-dichlorophenyl 3-methylbut-2-en-1-yl ester. Fumaric acid, 2-chlorophenyl 3-methylbut-2-en-1-yl ester. Fumaric acid, 2,5-dichlorophenyl 3-methylbut-2-en-1-yl ester. Fumaric acid, ethyl 2,4,6-trichlorophenyl ester. Fumaric acid, propyl 2,4,6-trichlorophenyl ester. Fumaric acid, 2,4,6-trichlorophenyl 2,2-dichloroethyl ester. Fumaric acid, isobutyl 2,4,6-trichlorophenyl ester. Fumaric acid, ethyl 2,3,4,6-tetrachlorophenyl ester. Fumaric acid, butyl 2,4,6-trichlorophenyl ester. Fumaric acid, 2,4-dichlorophenyl dodec-2-en-1-yl ester. Fumaric acid, propyl 2,3,4,6-tetrachlorophenyl ester. Fumaric acid, 4-methoxyphenyl 3-methylbut-2-en-1-yl ester. Fumaric acid, 2,4,6-trichlorophenyl 1,1,1-trifluoroprop-2-yl ester. Fumaric acid, ethyl 2,3,6-trichlorophenyl ester. Fumaric acid, 2,4,6-trichlorophenyl but-3-yn-2-yl ester.

Find more compounds similar to Fumaric acid, 2,4,6-trichlorophenyl 3-methylbut-2-en-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.