Chemical Properties of Benzoic acid, (3-methyl-4-nitrophenyl)methyl ester

Benzoic acid, (3-methyl-4-nitrophenyl)methyl ester

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InChI
InChI=1S/C15H13NO4/c1-11-9-12(7-8-14(11)16(18)19)10-20-15(17)13-5-3-2-4-6-13/h2-9H,10H2,1H3
InChI Key
KRLSKBYOKCZAEA-UHFFFAOYSA-N
Formula
C15H13NO4
SMILES
Cc1cc(COC(=O)c2ccccc2)ccc1[N+](=O)[O-]
Molecular Weight1
271.27
Sources

Physical Properties

Property Value Unit Source
Δf 82.61 kJ/mol Joback Calculated Property
Δfgas -158.37 kJ/mol Joback Calculated Property
Δfus 36.06 kJ/mol Joback Calculated Property
Δvap 80.61 kJ/mol Joback Calculated Property
logPoct/wat 3.26 Crippen Calculated Property
Pc 2581.96 kPa Joback Calculated Property
Tboil 834.05 K Joback Calculated Property
Tc 1090.64 K Joback Calculated Property
Tfus 552.46 K Joback Calculated Property
Vc 0.77 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 562.71 J/mol×K 834.05 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 8
-NO2 1
=C< (ring) 4
-CH2- 1
-CH3 1

Similar Compounds

Terephthalic acid, ethyl 4-nitro-3-methylbenzyl ester. Terephthalic acid, 4-nitro-3-methylbenzyl propyl ester. Terephthalic acid, isobutyl 4-nitro-3-methylbenzyl ester. Terephthalic acid, butyl 4-nitro-3-methylbenzyl ester. Terephthalic acid, 4-nitro-3-methylbenzyl pentyl ester. Terephthalic acid, hexyl 4-nitro-3-methylbenzyl ester. M-toluic acid, 4-nitro-, methyl ester. Formic acid, (3-methyl-4-nitrophenyl)methyl ester. Acetic acid, (3-methyl-4-nitrophenyl)methyl ester. 3-Methyl-4-nitrobenzoic acid. Benzoic acid, (3-methyl-2-nitrophenyl)methyl ester. Benzoic acid, 4-nitro-, phenylmethyl ester. Benzoic acid, (4-methyl-3-nitrophenyl)methyl ester. Glutaric acid, di(3-methyl-4-nitrobenzyl) ester. Sebacic acid, ethyl 3-methyl-4-nitrobenzyl ester.

Find more compounds similar to Benzoic acid, (3-methyl-4-nitrophenyl)methyl ester.

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