Chemical Properties of Sebacic acid, isobutyl 2-(3-nitrophenyl)ethyl ester

Sebacic acid, isobutyl 2-(3-nitrophenyl)ethyl ester

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InChI
InChI=1S/C22H33NO6/c1-18(2)17-29-22(25)13-8-6-4-3-5-7-12-21(24)28-15-14-19-10-9-11-20(16-19)23(26)27/h9-11,16,18H,3-8,12-15,17H2,1-2H3
InChI Key
OQZVSEPQJUXTDA-UHFFFAOYSA-N
Formula
C22H33NO6
SMILES
CC(C)COC(=O)CCCCCCCCC(=O)OCCc1cccc([N+](=O)[O-])c1
Molecular Weight1
407.50
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Physical Properties

Property Value Unit Source
Δf -197.59 kJ/mol Joback Calculated Property
Δfgas -777.99 kJ/mol Joback Calculated Property
Δfus 59.80 kJ/mol Joback Calculated Property
Δvap 102.02 kJ/mol Joback Calculated Property
log10WS -6.27 Crippen Calculated Property
logPoct/wat 5.001 Crippen Calculated Property
McVol 329.380 ml/mol McGowan Calculated Property
Pc 1187.42 kPa Joback Calculated Property
Inp [3048.00; 3048.00]   Show Hide
Inp 3048.00 NIST
Inp 3048.00 NIST
Tboil 1038.40 K Joback Calculated Property
Tc 1271.66 K Joback Calculated Property
Tfus 649.57 K Joback Calculated Property
Vc 1.284 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1108.70; 1163.67] J/mol×K [1038.40; 1271.66] Show Hide
Cp,gas 1108.70 J/mol×K 1038.40 Joback Calculated Property
Cp,gas 1121.45 J/mol×K 1077.28 Joback Calculated Property
Cp,gas 1132.70 J/mol×K 1116.15 Joback Calculated Property
Cp,gas 1142.50 J/mol×K 1155.03 Joback Calculated Property
Cp,gas 1150.89 J/mol×K 1193.90 Joback Calculated Property
Cp,gas 1157.93 J/mol×K 1232.78 Joback Calculated Property
Cp,gas 1163.67 J/mol×K 1271.66 Joback Calculated Property

Similar Compounds

Sebacic acid, 2-(3-nitrophenyl)ethyl propyl ester. Glutaric acid, isobutyl 3-nitrophenethyl ester. Sebacic acid, butyl 2-(3-nitrophenyl)ethyl ester. Sebacic acid, hexyl 2-(3-nitrophenyl)ethyl ester. Sebacic acid, 2-(3-nitrophenyl)ethyl pentyl ester. Glutaric acid, heptyl 3-nitrophenethyl ester. Glutaric acid, 3-nitrophenethyl octyl ester. Glutaric acid, dodecyl 3-nitrophenethyl ester. Glutaric acid, 3-nitrophenethyl nonyl ester. Glutaric acid, 3-nitrophenethyl undecyl ester. Glutaric acid, decyl 3-nitrophenethyl ester. Glutaric acid, 3-nitrophenethyl tridecyl ester. Glutaric acid, hexyl 3-nitrophenethyl ester. Sebacic acid, ethyl 2-(3-nitrophenyl)ethyl ester. Glutaric acid, 3-nitrophenethyl propyl ester.

Find more compounds similar to Sebacic acid, isobutyl 2-(3-nitrophenyl)ethyl ester.

Sources

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