Chemical Properties of Sebacic acid, isobutyl 4-nitrobenzyl ester

Sebacic acid, isobutyl 4-nitrobenzyl ester

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InChI
InChI=1S/C21H31NO6/c1-17(2)15-27-20(23)9-7-5-3-4-6-8-10-21(24)28-16-18-11-13-19(14-12-18)22(25)26/h11-14,17H,3-10,15-16H2,1-2H3
InChI Key
MPEFIVANZIGVMR-UHFFFAOYSA-N
Formula
C21H31NO6
SMILES
CC(C)COC(=O)CCCCCCCCC(=O)OCc1ccc([N+](=O)[O-])cc1
Molecular Weight1
393.47
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Physical Properties

Property Value Unit Source
Δf -206.01 kJ/mol Joback Calculated Property
Δfgas -757.35 kJ/mol Joback Calculated Property
Δfus 57.21 kJ/mol Joback Calculated Property
Δvap 99.79 kJ/mol Joback Calculated Property
log10WS -6.35 Crippen Calculated Property
logPoct/wat 4.958 Crippen Calculated Property
McVol 315.290 ml/mol McGowan Calculated Property
Pc 1270.06 kPa Joback Calculated Property
Inp [2981.00; 2981.00]   Show Hide
Inp 2981.00 NIST
Inp 2981.00 NIST
Tboil 1015.52 K Joback Calculated Property
Tc 1245.06 K Joback Calculated Property
Tfus 638.30 K Joback Calculated Property
Vc 1.228 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1048.54; 1103.87] J/mol×K [1015.52; 1245.06] Show Hide
Cp,gas 1048.54 J/mol×K 1015.52 Joback Calculated Property
Cp,gas 1061.21 J/mol×K 1053.78 Joback Calculated Property
Cp,gas 1072.44 J/mol×K 1092.03 Joback Calculated Property
Cp,gas 1082.28 J/mol×K 1130.29 Joback Calculated Property
Cp,gas 1090.77 J/mol×K 1168.55 Joback Calculated Property
Cp,gas 1097.95 J/mol×K 1206.81 Joback Calculated Property
Cp,gas 1103.87 J/mol×K 1245.06 Joback Calculated Property

Similar Compounds

Glutaric acid, isobutyl 4-nitrobenzyl ester. Glutaric acid, 4-nitrobenzyl nonyl ester. Glutaric acid, decyl 4-nitrobenzyl ester. Glutaric acid, heptyl 4-nitrobenzyl ester. Glutaric acid, 4-nitrobenzyl octyl ester. Glutaric acid, hexyl 4-nitrobenzyl ester. Sebacic acid, ethyl 4-nitrobenzyl ester. Glutaric acid, 4-nitrobenzyl pentyl ester. Glutaric acid, butyl 4-nitrobenzyl ester. Succinic acid, hexyl 4-nitrobenzyl ester. Glutaric acid, 4-nitrobenzyl propyl ester. Succinic acid, 4-nitrobenzyl pentyl ester. Sebacic acid, isobutyl 3-methyl-4-nitrobenzyl ester. Glutaric acid, isobutyl 3-nitrobenzyl ester. Succinic acid, 2-methylhex-3-yl 4-nitrobenzyl ester.

Find more compounds similar to Sebacic acid, isobutyl 4-nitrobenzyl ester.

Sources

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