Chemical Properties of 4-Nitrobenzoic acid, 3-methylphenyl ester

4-Nitrobenzoic acid, 3-methylphenyl ester

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InChI
InChI=1S/C14H11NO4/c1-10-3-2-4-13(9-10)19-14(16)11-5-7-12(8-6-11)15(17)18/h2-9H,1H3
InChI Key
WIBCITOJDNRTAD-UHFFFAOYSA-N
Formula
C14H11NO4
SMILES
Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1
Molecular Weight1
257.24
Sources

Physical Properties

Property Value Unit Source
Δf 74.19 kJ/mol Joback Calculated Property
Δfgas -137.73 kJ/mol Joback Calculated Property
Δfus 33.47 kJ/mol Joback Calculated Property
Δvap 78.38 kJ/mol Joback Calculated Property
logPoct/wat 3.12 Crippen Calculated Property
Pc 2853.57 kPa Joback Calculated Property
Tboil 811.17 K Joback Calculated Property
Tc 1073.33 K Joback Calculated Property
Tfus 541.19 K Joback Calculated Property
Vc 0.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 508.87 J/mol×K 811.17 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 8
-NO2 1
=C< (ring) 4
-CH3 1

Similar Compounds

4-Nitrobenzoic acid, 3,5-dimethylphenyl ester. 4-Nitrobenzoic acid, 4-chlorophenyl ester. 4-Nitrobenzoic acid, 2-chlorophenyl ester. M-anisic acid, 4-nitrophenyl ester. P-toluic acid, 4-nitrophenyl ester. P-anisic acid, 4-nitrophenyl ester. Benzoic acid, 3-methylphenyl ester. 4-Nitrobenzoic acid, 3,4-dichlorophenyl ester. 4-Nitrobenzoic acid, 2-isopropoxyphenyl ester. 4-Chlorobenzoic acid, 4-nitrophenyl ester. 4-Ethylbenzoic acid, 4-nitrophenyl ester. p-Toluylic acid, 3-methylphenyl ester. 4-Fluorobenzoic acid, 4-nitrophenyl ester. 4-Nitrobenzoic acid, 2-bromo-4-fluorophenyl ester. m-Anisic acid, 3-methylphenyl ester.

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