Chemical Properties of Fumaric acid, 2-isopropylphenyl 2-ethylhexyl ester

Fumaric acid, 2-isopropylphenyl 2-ethylhexyl ester

InChI
InChI=1S/C21H30O4/c1-5-7-10-17(6-2)15-24-20(22)13-14-21(23)25-19-12-9-8-11-18(19)16(3)4/h8-9,11-14,16-17H,5-7,10,15H2,1-4H3/b14-13+
InChI Key
YJZHPTOLPYRRIO-BUHFOSPRSA-N
Formula
C21H30O4
SMILES
CCCCC(CC)COC(=O)C=CC(=O)Oc1ccccc1C(C)C
Molecular Weight1
346.46
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Physical Properties

Property Value Unit Source
ΔfusH° 45.69 kJ/mol Joback Calculated Property
log10WS -5.85 Relay (1.0) Calculated Property
logPoct/wat 5.031 Crippen Calculated Property
McVol 293.570 ml/mol McGowan Calculated Property
Pc 1239.83 kPa Joback Calculated Property
Inp [2361.00; 2361.00]   Show Hide
Inp 2361.00 NIST
Inp 2361.00 NIST
Tboil 620.78 K Relay (1.0) Calculated Property
Tfus 274.02 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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 [898.17; 978.80] J/mol×K [831.46; 1034.81] Show Hide
Cp,gas 898.17 J/mol×K 831.46 Joback Calculated Property
Cp,gas 914.57 J/mol×K 865.35 Joback Calculated Property
Cp,gas 929.73 J/mol×K 899.24 Joback Calculated Property
Cp,gas 943.69 J/mol×K 933.14 Joback Calculated Property
Cp,gas 956.50 J/mol×K 967.03 Joback Calculated Property
Cp,gas 968.19 J/mol×K 1000.92 Joback Calculated Property
Cp,gas 978.80 J/mol×K 1034.81 Joback Calculated Property
η [0.0000270; 0.0011393] Pa×s [414.95; 831.46] Show Hide
η 0.0011393 Pa×s 414.95 Joback Calculated Property
η 0.0003903 Pa×s 484.37 Joback Calculated Property
η 0.0001749 Pa×s 553.79 Joback Calculated Property
η 0.0000938 Pa×s 623.20 Joback Calculated Property
η 0.0000569 Pa×s 692.62 Joback Calculated Property
η 0.0000379 Pa×s 762.04 Joback Calculated Property
η 0.0000270 Pa×s 831.46 Joback Calculated Property

Similar Compounds

Fumaric acid, 2-isopropylphenyl 8-chlorooctyl ester. Glutaric acid, 2-ethylhexyl 2-isopropylphenyl ester. Glutaric acid, cyclohexylmethyl 2-isopropylphenyl ester. Fumaric acid, 2-isopropylphenyl 2-methylpent-3-yl ester. 1,2-Cyclohexanedicarboxylic acid, isohexyl 2-isopropylphenyl ester. Glutaric acid, isohexyl 2-isopropylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, isobutyl 2-isopropylphenyl ester. Fumaric acid, 2-ethylphenyl isohexyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-isopropylphenyl octyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-isopropylphenyl pentyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-isopropylphenyl undecyl ester. 1,2-Cyclohexanedicarboxylic acid, hexyl 2-isopropylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, dodecyl 2-isopropylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-isopropylphenyl propyl ester. Fumaric acid, isohexyl 2-propylphenyl ester.

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

Sources

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