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

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

InChI
InChI=1S/C17H22ClNO6/c1-2-10-24-16(20)6-4-3-5-7-17(21)25-12-13-11-14(18)8-9-15(13)19(22)23/h8-9,11H,2-7,10,12H2,1H3
InChI Key
XBPUOSMTTMTGIH-UHFFFAOYSA-N
Formula
C17H22ClNO6
SMILES
CCCOC(=O)CCCCCC(=O)OCc1cc(Cl)ccc1[N+](=O)[O-]
Molecular Weight1
371.81
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Physical Properties

Property Value Unit Source
ΔfusH° 57.34 kJ/mol Joback Calculated Property
ΔvapH° 107.98 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.195 Crippen Calculated Property
McVol 271.170 ml/mol McGowan Calculated Property
Inp [2676.00; 2676.00]   Show Hide
Inp 2676.00 NIST
Inp 2676.00 NIST
Tboil 651.75 K Relay (1.0) Calculated Property
Tfus 296.58 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 [823.24; 869.67] J/mol×K [930.91; 1153.62] Show Hide
Cp,gas 823.24 J/mol×K 930.91 Joback Calculated Property
Cp,gas 834.14 J/mol×K 968.03 Joback Calculated Property
Cp,gas 843.74 J/mol×K 1005.15 Joback Calculated Property
Cp,gas 852.07 J/mol×K 1042.27 Joback Calculated Property
Cp,gas 859.16 J/mol×K 1079.38 Joback Calculated Property
Cp,gas 865.01 J/mol×K 1116.50 Joback Calculated Property
Cp,gas 869.67 J/mol×K 1153.62 Joback Calculated Property

Similar Compounds

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

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

Sources

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