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

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

InChI
InChI=1S/C20H28ClNO6/c1-2-13-27-19(23)9-7-5-3-4-6-8-10-20(24)28-15-16-11-12-17(21)18(14-16)22(25)26/h11-12,14H,2-10,13,15H2,1H3
InChI Key
WNKSREHRIMTQPK-UHFFFAOYSA-N
Formula
C20H28ClNO6
SMILES
CCCOC(=O)CCCCCCCCC(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1
Molecular Weight1
413.89
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Physical Properties

Property Value Unit Source
ΔfusH° 65.12 kJ/mol Joback Calculated Property
ΔvapH° 115.64 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 5.365 Crippen Calculated Property
McVol 313.440 ml/mol McGowan Calculated Property
Inp [3030.00; 3030.00]   Show Hide
Inp 3030.00 NIST
Inp 3030.00 NIST
Tboil 664.59 K Relay (1.0) Calculated Property
Tfus 296.71 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 [997.12; 1042.61] J/mol×K [999.55; 1226.45] Show Hide
Cp,gas 997.12 J/mol×K 999.55 Joback Calculated Property
Cp,gas 1008.20 J/mol×K 1037.37 Joback Calculated Property
Cp,gas 1017.83 J/mol×K 1075.18 Joback Calculated Property
Cp,gas 1026.04 J/mol×K 1113.00 Joback Calculated Property
Cp,gas 1032.89 J/mol×K 1150.82 Joback Calculated Property
Cp,gas 1038.40 J/mol×K 1188.64 Joback Calculated Property
Cp,gas 1042.61 J/mol×K 1226.45 Joback Calculated Property

Similar Compounds

Sebacic acid, butyl 3-nitro-4-chlorobenzyl ester. Sebacic acid, 3-nitro-4-chlorobenzyl pentyl ester. Sebacic acid, isobutyl 3-nitro-4-chlorobenzyl ester. Sebacic acid, ethyl 3-nitro-4-chlorobenzyl ester. Succinic acid, 4-chloro-3-nitrobenzyl pentyl ester. Succinic acid, butyl 4-chloro-3-nitrobenzyl ester. Sebacic acid, 3-nitro-4-fluorobenzyl propyl ester. Sebacic acid, 4-methyl-3-nitrobenzyl propyl ester. Succinic acid, 4-chloro-3-nitrobenzyl isobutyl ester. Glutaric acid, heptyl 3-nitrobenzyl ester. Glutaric acid, 3-nitrobenzyl nonyl ester. Glutaric acid, 3-nitrobenzyl octyl ester. Glutaric acid, decyl 3-nitrobenzyl ester. Glutaric acid, hexyl 3-nitrobenzyl ester. Sebacic acid, 4-methyl-3-nitrobenzyl pentyl ester.

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

Sources

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