Chemical Properties of 4-Nitrobenzoic acid, heptyl ester (CAS 14309-44-5)

4-Nitrobenzoic acid, heptyl ester

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InChI
InChI=1S/C14H19NO4/c1-2-3-4-5-6-11-19-14(16)12-7-9-13(10-8-12)15(17)18/h7-10H,2-6,11H2,1H3
InChI Key
WMUVYRILEXKYQK-UHFFFAOYSA-N
Formula
C14H19NO4
SMILES
CCCCCCCOC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
265.30
CAS
14309-44-5
Other Names
  • Benzoic acid, 4-nitro, heptyl ester
  • heptyl 4-nitrobenzoate
Sources

Physical Properties

Property Value Unit Source
Δf -28.59 kJ/mol Joback Calculated Property
Δfgas -362.79 kJ/mol Joback Calculated Property
Δfus 39.82 kJ/mol Joback Calculated Property
Δvap 75.44 kJ/mol Joback Calculated Property
logPoct/wat 3.72 Crippen Calculated Property
Pc 2088.84 kPa Joback Calculated Property
Tboil 779.51 K Joback Calculated Property
Tc 1000.99 K Joback Calculated Property
Tfus 502.25 K Joback Calculated Property
Vc 0.82 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 604.78 J/mol×K 779.51 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- 6
-CH3 1

Similar Compounds

4-Nitrobenzoic acid, undecyl ester. Benzoic acid, 4-nitro-, octyl ester. 4-Nitrobenzoic acid, dodecyl ester. Benzoic acid, 4-nitro-, pentyl ester. n-Butyl 4-nitrobenzoate. 1-Butanol, 3-methyl-, 4-nitrobenzoate. Benzoic acid, 4-nitro, 4-pentenyl ester. 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, 1,2-dimethylpropyl ester. Benzoic acid, 4-nitro, (Z)-3-hexenyl ester.

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