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

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

InChI
InChI=1S/C16H18O5/c1-12(2)10-11-20-15(17)8-9-16(18)21-14-6-4-13(19-3)5-7-14/h4-10H,11H2,1-3H3/b9-8+
InChI Key
PTFNZNLIGKKOLQ-CMDGGOBGSA-N
Formula
C16H18O5
SMILES
COc1ccc(OC(=O)C=CC(=O)OCC=C(C)C)cc1
Molecular Weight1
290.31
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Physical Properties

Property Value Unit Source
ΔfusH° 39.87 kJ/mol Joback Calculated Property
IE 8.22 eV Relay (1.0) Calculated Property
logPoct/wat 2.666 Crippen Calculated Property
McVol 224.690 ml/mol McGowan Calculated Property
Inp [2255.00; 2255.00]   Show Hide
Inp 2255.00 NIST
Inp 2255.00 NIST
Tboil 615.32 K Relay (1.0) Calculated Property
Tfus 326.48 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [616.64; 686.53] J/mol×K [744.40; 956.57] Show Hide
Cp,gas 616.64 J/mol×K 744.40 Joback Calculated Property
Cp,gas 630.88 J/mol×K 779.76 Joback Calculated Property
Cp,gas 644.04 J/mol×K 815.12 Joback Calculated Property
Cp,gas 656.16 J/mol×K 850.49 Joback Calculated Property
Cp,gas 667.26 J/mol×K 885.85 Joback Calculated Property
Cp,gas 677.38 J/mol×K 921.21 Joback Calculated Property
Cp,gas 686.53 J/mol×K 956.57 Joback Calculated Property

Similar Compounds

Fumaric acid, 2-methoxyphenyl 3-methylbut-2-en-1-yl ester. Fumaric acid, 4-bromophenyl 3-methylbut-2-en-1-yl ester. Fumaric acid, naphth-2-yl 3-methylbut-2-en-1-yl ester. Fumaric acid, 2-chlorophenyl 3-methylbut-2-en-1-yl ester. Fumaric acid, 2,6-dimethoxyphenyl 3-methylbut-2-en-1-yl ester. Fumaric acid, naphth-1-yl 3-methylbut-2-en-1-yl ester. Fumaric acid, 2,4-dichlorophenyl 3-methylbut-2-en-1-yl ester. Fumaric acid, 2,5-dichlorophenyl 3-methylbut-2-en-1-yl ester. Fumaric acid, 4-methoxyphenyl dodec-2-en-1-yl ester. Fumaric acid, ethyl 3,4-dimethoxyphenyl ester. Fumaric acid, 3,4-dimethoxyphenyl propyl ester. Fumaric acid, 2,4,6-trichlorophenyl 3-methylbut-2-en-1-yl ester. Fumaric acid, 3,5-dimethylphenyl 3-methylbut-2-en-1-yl ester. Fumaric acid, 3,4-dimethoxyphenyl isobutyl ester. Fumaric acid, 4-chlorophenyl dodec-2-en-1-yl ester.

Find more compounds similar to Fumaric acid, 4-methoxyphenyl 3-methylbut-2-en-1-yl ester.

Sources

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