Chemical Properties of Benzoic acid, 4-nitro-, pentyl ester (CAS 14309-42-3)

Benzoic acid, 4-nitro-, pentyl ester

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InChI
InChI=1S/C12H15NO4/c1-2-3-4-9-17-12(14)10-5-7-11(8-6-10)13(15)16/h5-8H,2-4,9H2,1H3
InChI Key
BFKGHSXQYBELBN-UHFFFAOYSA-N
Formula
C12H15NO4
SMILES
CCCCCOC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
237.25
CAS
14309-42-3
Other Names
  • 4-Nitrobenzoic acid, pentyl ester
  • Amyl p-nitrobenzoate
  • pentyl 4-nitrobenzoate
Sources

Physical Properties

Property Value Unit Source
Δf -45.43 kJ/mol Joback Calculated Property
Δfgas -321.51 kJ/mol Joback Calculated Property
Δfus 34.64 kJ/mol Joback Calculated Property
Δvap 70.99 kJ/mol Joback Calculated Property
logPoct/wat 2.94 Crippen Calculated Property
Pc 2510.03 kPa Joback Calculated Property
Tboil 733.75 K Joback Calculated Property
Tc 962.21 K Joback Calculated Property
Tfus 479.71 K Joback Calculated Property
Vc 0.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 497.53 J/mol×K 733.75 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- 4
-CH3 1

Similar Compounds

4-Nitrobenzoic acid, heptyl ester. 4-Nitrobenzoic acid, dodecyl ester. Benzoic acid, 4-nitro-, octyl ester. 4-Nitrobenzoic acid, undecyl ester. n-Butyl 4-nitrobenzoate. Benzoic acid, 4-nitro, 4-pentenyl ester. 1-Butanol, 3-methyl-, 4-nitrobenzoate. P-nitrobenzoic acid, n-propyl ester. P-nitrobenzoic acid, isobutyl ester. 4-Nitrobenzoic acid, 2-pentyl ester. Benzoic acid, 4-nitro, 3-butenyl ester. Benzoic acid, 4-nitro, 1-methylpropyl ester. Ethyl 4-nitrobenzoate. Benzoic acid, 4-nitro-, 1-methylethyl ester. Benzoic acid, 4-nitro, (Z)-3-hexenyl ester.

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