Chemical Properties of Pimelic acid, 5-chloro-2-nitrobenzyl heptyl ester

Pimelic acid, 5-chloro-2-nitrobenzyl heptyl ester

InChI
InChI=1S/C21H30ClNO6/c1-2-3-4-5-9-14-28-20(24)10-7-6-8-11-21(25)29-16-17-15-18(22)12-13-19(17)23(26)27/h12-13,15H,2-11,14,16H2,1H3
InChI Key
HAHKYMRTOIPVBE-UHFFFAOYSA-N
Formula
C21H30ClNO6
SMILES
CCCCCCCOC(=O)CCCCCC(=O)OCc1cc(Cl)ccc1[N+](=O)[O-]
Molecular Weight1
427.92
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Physical Properties

Property Value Unit Source
ΔfusH° 67.70 kJ/mol Joback Calculated Property
ΔvapH° 121.84 kJ/mol Relay (1.0) Calculated Property
log10WS -6.26 Relay (1.0) Calculated Property
logPoct/wat 5.756 Crippen Calculated Property
McVol 327.530 ml/mol McGowan Calculated Property
Inp [3081.00; 3081.00]   Show Hide
Inp 3081.00 NIST
Inp 3081.00 NIST
Tboil 679.58 K Relay (1.0) Calculated Property
Tfus 297.98 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 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 [1056.07; 1100.91] J/mol×K [1022.43; 1252.60] Show Hide
Cp,gas 1056.07 J/mol×K 1022.43 Joback Calculated Property
Cp,gas 1067.19 J/mol×K 1060.79 Joback Calculated Property
Cp,gas 1076.79 J/mol×K 1099.15 Joback Calculated Property
Cp,gas 1084.92 J/mol×K 1137.52 Joback Calculated Property
Cp,gas 1091.62 J/mol×K 1175.88 Joback Calculated Property
Cp,gas 1096.93 J/mol×K 1214.24 Joback Calculated Property
Cp,gas 1100.91 J/mol×K 1252.60 Joback Calculated Property

Similar Compounds

Pimelic acid, 5-chloro-2-nitrobenzyl octyl ester. Pimelic acid, 5-chloro-2-nitrobenzyl hexyl ester. Pimelic acid, 5-chloro-2-nitrobenzyl pentyl ester. Pimelic acid, butyl 5-chloro-2-nitrobenzyl ester. Pimelic acid, 5-chloro-2-nitrobenzyl propyl ester. Pimelic acid, 5-chloro-2-nitrobenzyl isobutyl ester. Pimelic acid, 5-chloro-2-nitrobenzyl ethyl ester. Pimelic acid, 5-chloro-2-nitrobenzyl 4-methyl-2-pentyl ester. Glutaric acid, decyl 2-nitro-4-chlorobenzyl ester. Glutaric acid, 2-nitro-4-chlorobenzyl nonyl ester. Glutaric acid, heptyl 2-nitro-4-chlorobenzyl ester. Glutaric acid, 2-nitro-4-chlorobenzyl undecyl ester. Glutaric acid, 2-nitro-4-chlorobenzyl octyl ester. Glutaric acid, tridecyl 2-nitro-4-chlorobenzyl ester. Succinic acid, heptyl 2-nitrobenzyl ester.

Find more compounds similar to Pimelic acid, 5-chloro-2-nitrobenzyl heptyl ester.

Sources

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