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

Fumaric acid, 2-isopropoxyphenyl 8-chlorooctyl ester

InChI
InChI=1S/C21H29ClO5/c1-17(2)26-18-11-7-8-12-19(18)27-21(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
PFPALQAZHAFJKV-BUHFOSPRSA-N
Formula
C21H29ClO5
SMILES
CC(C)Oc1ccccc1OC(=O)C=CC(=O)OCCCCCCCCCl
Molecular Weight1
396.90
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Physical Properties

Property Value Unit Source
ΔfusH° 54.60 kJ/mol Joback Calculated Property
log10WS -5.68 Relay (1.0) Calculated Property
logPoct/wat 5.058 Crippen Calculated Property
McVol 311.680 ml/mol McGowan Calculated Property
Inp [2835.00; 2835.00]   Show Hide
Inp 2835.00 NIST
Inp 2835.00 NIST
Tfus 322.18 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 [953.43; 1020.93] J/mol×K [891.75; 1099.53] Show Hide
Cp,gas 953.43 J/mol×K 891.75 Joback Calculated Property
Cp,gas 967.81 J/mol×K 926.38 Joback Calculated Property
Cp,gas 980.89 J/mol×K 961.01 Joback Calculated Property
Cp,gas 992.72 J/mol×K 995.64 Joback Calculated Property
Cp,gas 1003.31 J/mol×K 1030.27 Joback Calculated Property
Cp,gas 1012.70 J/mol×K 1064.90 Joback Calculated Property
Cp,gas 1020.93 J/mol×K 1099.53 Joback Calculated Property
η [0.0000185; 0.0004536] Pa×s [482.10; 891.75] Show Hide
η 0.0004536 Pa×s 482.10 Joback Calculated Property
η 0.0001912 Pa×s 550.38 Joback Calculated Property
η 0.0000975 Pa×s 618.65 Joback Calculated Property
η 0.0000569 Pa×s 686.92 Joback Calculated Property
η 0.0000366 Pa×s 755.20 Joback Calculated Property
η 0.0000253 Pa×s 823.47 Joback Calculated Property
η 0.0000185 Pa×s 891.75 Joback Calculated Property

Similar Compounds

Fumaric acid, 2-methoxyphenyl 8-chlorooctyl ester. Fumaric acid, 2-isopropoxyphenyl hept-2-yl ester. Fumaric acid, 2-isopropoxyphenyl 2-ethylhexyl ester. Succinic acid, 2-isopropoxyphenyl 6-chlorohexyl ester. Fumaric acid, 2-methoxyphenyl hept-2-yl ester. Fumaric acid, 4-methoxyphenyl 8-chlorooctyl ester. Fumaric acid, 2-chlorophenyl 8-chlorooctyl ester. Fumaric acid, naphth-1-yl 8-chlorooctyl ester. Fumaric acid, 2-methoxyphenyl 2-ethylhexyl ester. Fumaric acid, 4-chlorophenyl 8-chlorooctyl ester. Fumaric acid, 3-chlorophenyl 8-chlorooctyl ester. Fumaric acid, 2,4-dichlorophenyl 8-chlorooctyl ester. Fumaric acid, naphth-2-yl 8-chlorooctyl ester. Fumaric acid, 2-methoxyphenyl cyclohexylmethyl ester. Fumaric acid, 2,6-dimethoxyphenyl dec-2-yl ester.

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

Sources

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