Chemical Properties of Benzoic acid, 4-nitro-, 1-methylethyl ester (CAS 13756-40-6)

Benzoic acid, 4-nitro-, 1-methylethyl ester

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InChI
InChI=1S/C10H11NO4/c1-7(2)15-10(12)8-3-5-9(6-4-8)11(13)14/h3-7H,1-2H3
InChI Key
JSZSPHFHMMXJEU-UHFFFAOYSA-N
Formula
C10H11NO4
SMILES
CC(C)OC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
209.20
CAS
13756-40-6
Other Names
  • 4-Nitrobenzoic acid, isopropyl ester
  • Benzoic acid, 4-nitro, isopropyl ester
  • Isopropyl 4-nitrobenzoate
Sources

Physical Properties

Property Value Unit Source
Δf -64.71 kJ/mol Joback Calculated Property
Δfgas -285.51 kJ/mol Joback Calculated Property
Δfus 25.93 kJ/mol Joback Calculated Property
Δvap 66.15 kJ/mol Joback Calculated Property
logPoct/wat 2.16 Crippen Calculated Property
Pc 3100.18 kPa Joback Calculated Property
Tboil 687.55 K Joback Calculated Property
Tc 929.72 K Joback Calculated Property
Tfus 442.17 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 395.71 J/mol×K 687.55 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
-CH3 2
=CH- (ring) 4
-NO2 1
=C< (ring) 2
>C=O (nonring) 1

Similar Compounds

Ethyl 4-nitrobenzoate. Benzoic acid, 4-nitro, 1-methylpropyl ester. P-nitrobenzoic acid, n-propyl ester. Benzoic acid, 4-nitro, allyl ester. Benzoic acid, 4-nitro, 2-propynyl ester. P-nitrobenzoic acid, isobutyl ester. Ethanol, 2-chloro, 4-nitrobenzoate. Benzoic acid, 4-nitro, (E)-2-butenyl ester. n-Butyl 4-nitrobenzoate. Benzoic acid, 4-nitro, 3-butenyl ester. Benzoic acid, 4-nitro, 1,2-dimethylpropyl ester. 4-Nitrobenzoic acid, 3-methylbut-2-enyl ester. 4-Nitrobenzoic acid, 3-chloroprop-2-enyl ester. Methyl p-nitro benzoate. Benzoic acid, 4-nitro-, methyl ester.

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