Chemical Properties of Sebacic acid, isobutyl 3-nitro-4-chlorobenzyl ester

Sebacic acid, isobutyl 3-nitro-4-chlorobenzyl ester

InChI
InChI=1S/C21H30ClNO6/c1-16(2)14-28-20(24)9-7-5-3-4-6-8-10-21(25)29-15-17-11-12-18(22)19(13-17)23(26)27/h11-13,16H,3-10,14-15H2,1-2H3
InChI Key
ZKIIDGLPQQRMJG-UHFFFAOYSA-N
Formula
C21H30ClNO6
SMILES
CC(C)COC(=O)CCCCCCCCC(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1
Molecular Weight1
427.92
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Physical Properties

Property Value Unit Source
ΔfH°gas -900.77 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 64.18 kJ/mol Joback Calculated Property
ΔvapH° 117.35 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 5.611 Crippen Calculated Property
McVol 327.530 ml/mol McGowan Calculated Property
Inp [3073.00; 3073.00]   Show Hide
Inp 3073.00 NIST
Inp 3073.00 NIST
Tboil 670.80 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [1056.43; 1100.65] J/mol×K [1021.99; 1252.68] Show Hide
Cp,gas 1056.43 J/mol×K 1021.99 Joback Calculated Property
Cp,gas 1067.49 J/mol×K 1060.44 Joback Calculated Property
Cp,gas 1077.02 J/mol×K 1098.89 Joback Calculated Property
Cp,gas 1085.06 J/mol×K 1137.33 Joback Calculated Property
Cp,gas 1091.64 J/mol×K 1175.78 Joback Calculated Property
Cp,gas 1096.83 J/mol×K 1214.23 Joback Calculated Property
Cp,gas 1100.65 J/mol×K 1252.68 Joback Calculated Property

Similar Compounds

Sebacic acid, 3-nitro-4-chlorobenzyl propyl ester. Sebacic acid, 3-nitro-4-chlorobenzyl pentyl ester. Sebacic acid, butyl 3-nitro-4-chlorobenzyl ester. Succinic acid, 4-chloro-3-nitrobenzyl isobutyl ester. Sebacic acid, ethyl 3-nitro-4-chlorobenzyl ester. Succinic acid, 4-chloro-3-nitrobenzyl pentyl ester. Sebacic acid, isobutyl 4-methyl-3-nitrobenzyl ester. Sebacic acid, isobutyl 3-nitro-4-fluorobenzyl ester. Succinic acid, butyl 4-chloro-3-nitrobenzyl ester. Glutaric acid, isobutyl 3-nitrobenzyl ester. Glutaric acid, 2-ethylhexyl 3-nitrobenzyl ester. Glutaric acid, cyclohexylmethyl 3-nitrobenzyl ester. Glutaric acid, 3-methylbut-2-yl 3-nitrobenzyl ester. Glutaric acid, isobutyl 4-methyl-3-nitrobenzyl ester. Sebacic acid, isobutyl 4-methoxy-3-nitrobenzyl ester.

Find more compounds similar to Sebacic acid, isobutyl 3-nitro-4-chlorobenzyl ester.

Sources

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