Chemical Properties of Fumaric acid, 4-chlorobenzyl 3-methylbut-2-yl ester

Fumaric acid, 4-chlorobenzyl 3-methylbut-2-yl ester

InChI
InChI=1S/C16H19ClO4/c1-11(2)12(3)21-16(19)9-8-15(18)20-10-13-4-6-14(17)7-5-13/h4-9,11-12H,10H2,1-3H3/b9-8+
InChI Key
AMEIIMGIDHGYFG-CMDGGOBGSA-N
Formula
C16H19ClO4
SMILES
CC(C)C(C)OC(=O)C=CC(=O)OCc1ccc(Cl)cc1
Molecular Weight1
310.77
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Physical Properties

Property Value Unit Source
ΔfusH° 36.94 kJ/mol Joback Calculated Property
log10WS -4.72 Relay (1.0) Calculated Property
logPoct/wat 3.527 Crippen Calculated Property
McVol 235.360 ml/mol McGowan Calculated Property
Inp [2176.00; 2176.00]   Show Hide
Inp 2176.00 NIST
Inp 2176.00 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [641.83; 711.14] J/mol×K [754.49; 968.61] Show Hide
Cp,gas 641.83 J/mol×K 754.49 Joback Calculated Property
Cp,gas 656.11 J/mol×K 790.18 Joback Calculated Property
Cp,gas 669.25 J/mol×K 825.86 Joback Calculated Property
Cp,gas 681.30 J/mol×K 861.55 Joback Calculated Property
Cp,gas 692.27 J/mol×K 897.24 Joback Calculated Property
Cp,gas 702.21 J/mol×K 932.93 Joback Calculated Property
Cp,gas 711.14 J/mol×K 968.61 Joback Calculated Property
η [0.0000479; 0.0015845] Pa×s [388.52; 754.49] Show Hide
η 0.0015845 Pa×s 388.52 Joback Calculated Property
η 0.0005956 Pa×s 449.52 Joback Calculated Property
η 0.0002828 Pa×s 510.51 Joback Calculated Property
η 0.0001574 Pa×s 571.50 Joback Calculated Property
η 0.0000981 Pa×s 632.50 Joback Calculated Property
η 0.0000665 Pa×s 693.50 Joback Calculated Property
η 0.0000479 Pa×s 754.49 Joback Calculated Property

Similar Compounds

Fumaric acid, 4-chlorobenzyl 2-methylpent-3-yl ester. Fumaric acid, 4-chlorobenzyl hept-2-yl ester. Fumaric acid, 4-chlorobenzyl dec-2-yl ester. Succinic acid, 3-methylbut-2-yl 4-chlorobenzyl ester. Glutaric acid, 3-methylbut-2-yl 4-chlorobenzyl ester. Fumaric acid, 4-chlorobenzyl 2-ethylhexyl ester. Fumaric acid, 4-chlorobenzyl cyclohexylmethyl ester. Succinic acid, 2-methylpent-3-yl 4-chlorobenzyl ester. Glutaric acid, 2-methylpent-3-yl 4-chlorobenzyl ester. Fumaric acid, 2-pentyl naphth-2-ylmethyl ester. Fumaric acid, 2-octyl naphth-2-ylmethyl ester. Fumaric acid, 4-octyl naphth-2-ylmethyl ester. Pimelic acid, 4-chlorobenzyl 4-methyl-2-pentyl ester. Fumaric acid, 4-chlorobenzyl 8-chlorooctyl ester. Succinic acid, 3-chlorobenzyl 2-methylhex-3-yl ester.

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

Sources

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