Chemical Properties of Fumaric acid, 2-isopropylphenyl 8-chlorooctyl ester

Fumaric acid, 2-isopropylphenyl 8-chlorooctyl ester

InChI
InChI=1S/C21H29ClO4/c1-17(2)18-11-7-8-12-19(18)26-21(24)14-13-20(23)25-16-10-6-4-3-5-9-15-22/h7-8,11-14,17H,3-6,9-10,15-16H2,1-2H3/b14-13+
InChI Key
HQCKJPULXNIPCA-BUHFOSPRSA-N
Formula
C21H29ClO4
SMILES
CC(C)c1ccccc1OC(=O)/C=C/C(=O)OCCCCCCCCCl
Molecular Weight1
380.91
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Physical Properties

Property Value Unit Source
ΔfusH° 53.41 kJ/mol Joback Calculated Property
log10WS -6.49 Relay (1.0) Calculated Property
logPoct/wat 5.394 Crippen Calculated Property
McVol 305.810 ml/mol McGowan Calculated Property
Inp [2761.00; 2761.00]   Show Hide
Inp 2761.00 NIST
Inp 2761.00 NIST
Tfus 319.63 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [924.98; 997.63] J/mol×K [869.33; 1075.64] Show Hide
Cp,gas 924.98 J/mol×K 869.33 Joback Calculated Property
Cp,gas 939.96 J/mol×K 903.72 Joback Calculated Property
Cp,gas 953.73 J/mol×K 938.10 Joback Calculated Property
Cp,gas 966.34 J/mol×K 972.49 Joback Calculated Property
Cp,gas 977.83 J/mol×K 1006.87 Joback Calculated Property
Cp,gas 988.24 J/mol×K 1041.26 Joback Calculated Property
Cp,gas 997.63 J/mol×K 1075.64 Joback Calculated Property
η [0.0000250; 0.0006876] Pa×s [459.87; 869.33] Show Hide
η 0.0006876 Pa×s 459.87 Joback Calculated Property
η 0.0002771 Pa×s 528.11 Joback Calculated Property
η 0.0001375 Pa×s 596.36 Joback Calculated Property
η 0.0000788 Pa×s 664.60 Joback Calculated Property
η 0.0000501 Pa×s 732.84 Joback Calculated Property
η 0.0000344 Pa×s 801.09 Joback Calculated Property
η 0.0000250 Pa×s 869.33 Joback Calculated Property

Similar Compounds

Fumaric acid, 2-isopropylphenyl 2-ethylhexyl ester. Fumaric acid, hexyl 2-propylphenyl ester. Fumaric acid, 2-isopropylphenyl 2-methylpent-3-yl ester. Fumaric acid, 2-isopropylphenyl dodec-2-en-1-yl ester. Sebacic acid, isobutyl 2-isopropylphenyl ester. Glutaric acid, heptadecyl 2-isopropylphenyl ester. Glutaric acid, decyl 2-isopropylphenyl ester. Glutaric acid, 2-isopropylphenyl pentadecyl ester. Glutaric acid, hexadecyl 2-isopropylphenyl ester. Glutaric acid, 2-isopropylphenyl undecyl ester. Glutaric acid, 2-isopropylphenyl tetradecyl ester. Glutaric acid, dodecyl 2-isopropylphenyl ester. Glutaric acid, heptyl 2-isopropylphenyl ester. Glutaric acid, 2-isopropylphenyl octyl ester. Glutaric acid, 2-isopropylphenyl tridecyl ester.

Find more compounds similar to Fumaric acid, 2-isopropylphenyl 8-chlorooctyl ester.

Sources

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