Chemical Properties of Fumaric acid, 2-nitrophenyl cyclohexylmethyl ester

Fumaric acid, 2-nitrophenyl cyclohexylmethyl ester

InChI
InChI=1S/C17H19NO6/c19-16(23-12-13-6-2-1-3-7-13)10-11-17(20)24-15-9-5-4-8-14(15)18(21)22/h4-5,8-11,13H,1-3,6-7,12H2/b11-10+
InChI Key
QEJAUIYGUWHNKR-ZHACJKMWSA-N
Formula
C17H19NO6
SMILES
O=C(C=CC(=O)Oc1ccccc1[N+](=O)[O-])OCC1CCCCC1
Molecular Weight1
333.34
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Physical Properties

Property Value Unit Source
ΔfusH° 45.57 kJ/mol Joback Calculated Property
log10WS -4.96 Relay (1.0) Calculated Property
logPoct/wat 3.180 Crippen Calculated Property
McVol 243.770 ml/mol McGowan Calculated Property
Inp [2644.00; 2644.00]   Show Hide
Inp 2644.00 NIST
Inp 2644.00 NIST
Tboil 652.28 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [767.34; 818.59] J/mol×K [912.21; 1159.94] Show Hide
Cp,gas 767.34 J/mol×K 912.21 Joback Calculated Property
Cp,gas 779.74 J/mol×K 953.50 Joback Calculated Property
Cp,gas 790.50 J/mol×K 994.79 Joback Calculated Property
Cp,gas 799.71 J/mol×K 1036.08 Joback Calculated Property
Cp,gas 807.41 J/mol×K 1077.37 Joback Calculated Property
Cp,gas 813.69 J/mol×K 1118.66 Joback Calculated Property
Cp,gas 818.59 J/mol×K 1159.94 Joback Calculated Property

Similar Compounds

Fumaric acid, 2-nitrophenyl 2-ethylhexyl ester. Fumaric acid, 2-nitrophenyl hept-2-yl ester. Fumaric acid, 2-nitrophenyl dec-2-yl ester. Glutaric acid, 2-ethylhexyl 2-nitrophenyl ester. Glutaric acid, cyclohexylmethyl 2-nitrophenyl ester. Fumaric acid, 4-nitrophenyl 2-ethylhexyl ester. Sebacic acid, isohexyl 2-nitrophenyl ester. Glutaric acid, isohexyl 2-nitrophenyl ester. Fumaric acid, isohexyl 3-nitrophenyl ester. Fumaric acid, 2-nitrophenyl 3-methylbut-2-yl ester. Pimelic acid, 4-methyl-2-pentyl 2-nitro-5-fluorophenyl ester. Sebacic acid, isobutyl 2-nitrophenyl ester. Pimelic acid, isobutyl 2-nitrophenyl ester. Fumaric acid, 2-ethylhexyl 2-fluorophenyl ester. Glutaric acid, 2-methylpent-3-yl 2-nitrophenyl ester.

Find more compounds similar to Fumaric acid, 2-nitrophenyl cyclohexylmethyl ester.

Sources

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