Chemical Properties of Fumaric acid, 3,5-dimethylphenyl 3-methylbut-2-en-1-yl ester

Fumaric acid, 3,5-dimethylphenyl 3-methylbut-2-en-1-yl ester

InChI
InChI=1S/C17H20O4/c1-12(2)7-8-20-16(18)5-6-17(19)21-15-10-13(3)9-14(4)11-15/h5-7,9-11H,8H2,1-4H3
InChI Key
KQAJNWXUHZXHHY-AATRIKPKSA-N
Formula
C17H20O4
SMILES
CC(C)=CCOC(=O)/C=C/C(=O)Oc1cc(C)cc(C)c1
Molecular Weight1
288.34
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Physical Properties

Property Value Unit Source
ΔfusH° 40.88 kJ/mol Joback Calculated Property
log10WS -5.39 Relay (1.0) Calculated Property
logPoct/wat 3.274 Crippen Calculated Property
McVol 232.910 ml/mol McGowan Calculated Property
Inp [2192.00; 2192.00]   Show Hide
Inp 2192.00 NIST
Inp 2192.00 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 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 [318.78; 726.55] 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 A4.89100e+00
Coefficient B1.35128e+00
Coefficient C-7.78820e-04
Coefficient D1.49200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 318.78 J/mol×K 273.00 Calculated Property
Cp,gas 392.07 J/mol×K 353.78 Calculated Property
Cp,gas 457.27 J/mol×K 434.56 Calculated Property
Cp,gas 514.84 J/mol×K 515.33 Calculated Property
Cp,gas 565.26 J/mol×K 596.11 Calculated Property
Cp,gas 608.99 J/mol×K 676.89 Calculated Property
Cp,gas 646.52 J/mol×K 757.67 Calculated Property
Cp,gas 678.30 J/mol×K 838.44 Calculated Property
Cp,gas 704.82 J/mol×K 919.22 Calculated Property
Cp,gas 726.55 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, 3,5-dimethylphenyl dodec-2-en-1-yl ester. Fumaric acid, 3,5-dimethylphenyl 2,2-dichloroethyl ester. Fumaric acid, 3,5-dimethylphenyl 2,2,3,3-tetrafluoropropyl ester. Fumaric acid, 2-methylphenyl dodec-2-en-1-yl ester. Fumaric acid, 3,5-dimethylphenyl 8-chlorooctyl ester. 3-Methylbut-2-enoic acid, 3,5-dimethylphenyl ester. Fumaric acid, naphth-2-yl 3-methylbut-2-en-1-yl ester. Fumaric acid, ethyl 3-ethylphenyl ester. Fumaric acid, 3,5-dimethylphenyl cyclohexylmethyl ester. Fumaric acid, 4-bromophenyl 3-methylbut-2-en-1-yl ester. Fumaric acid, 3,5-dimethylphenyl 2-ethylhexyl ester. Fumaric acid, 3,5-dimethylphenyl hept-2-yl ester. Glutaric acid, 3-methylbut-2-en-1-yl 3-methylphenyl ester. Fumaric acid, 3-ethylphenyl propyl ester. Fumaric acid, 2-chloro-5-methylphenyl ethyl ester.

Find more compounds similar to Fumaric acid, 3,5-dimethylphenyl 3-methylbut-2-en-1-yl ester.

Sources

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