Chemical Properties of P-nitrobenzoic acid, n-propyl ester (CAS 94-22-4)

P-nitrobenzoic acid, n-propyl ester

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InChI
InChI=1S/C10H11NO4/c1-2-7-15-10(12)8-3-5-9(6-4-8)11(13)14/h3-6H,2,7H2,1H3
InChI Key
KXUOYHZSTGGNCK-UHFFFAOYSA-N
Formula
C10H11NO4
SMILES
CCCOC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
209.20
CAS
94-22-4
Other Names
  • Benzoic acid, 4-nitro-, propyl ester
  • Benzoic acid, p-nitro-, propyl ester
  • Propyl 4-nitrobenzoate
Sources

Physical Properties

Property Value Unit Source
Δf -62.27 kJ/mol Joback Calculated Property
Δfgas -280.23 kJ/mol Joback Calculated Property
Δfus 29.46 kJ/mol Joback Calculated Property
Δvap 66.54 kJ/mol Joback Calculated Property
logPoct/wat 2.16 Crippen Calculated Property
Pc 3072.75 kPa Joback Calculated Property
Tboil 687.99 K Joback Calculated Property
Tc 925.31 K Joback Calculated Property
Tfus 457.17 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 395.14 J/mol×K 687.99 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
-NO2 1
=C< (ring) 2
-CH2- 2
-CH3 1

Similar Compounds

P-nitrobenzoic acid, isobutyl ester. n-Butyl 4-nitrobenzoate. Benzoic acid, 4-nitro, 3-butenyl ester. Ethyl 4-nitrobenzoate. Benzoic acid, 4-nitro, 4-pentenyl ester. Benzoic acid, 4-nitro-, pentyl ester. 1-Butanol, 3-methyl-, 4-nitrobenzoate. Benzoic acid, 4-nitro, 1-methylpropyl ester. Benzoic acid, 4-nitro, (Z)-3-hexenyl ester. Benzoic acid, 4-nitro, (E)-3-hexenyl ester. Benzoic acid, 4-nitro-, 1-methylethyl ester. 4-Nitrobenzoic acid, heptyl ester. 4-Nitrobenzoic acid, undecyl ester. 4-Nitrobenzoic acid, dodecyl ester. Benzoic acid, 4-nitro-, octyl ester.

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