Chemical Properties of Benzoic acid, 3-methyl-2-nitro- (CAS 5437-38-7)

Benzoic acid, 3-methyl-2-nitro-

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C8H7NO4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key
DGDAVTPQCQXLGU-UHFFFAOYSA-N
Formula
C8H7NO4
SMILES
Cc1cccc(C(=O)O)c1[N+](=O)[O-]
Molecular Weight1
181.15
CAS
5437-38-7
Other Names
  • 2-Nitro-m-toluic acid
  • 3-Methyl-2-nitrobenzoic acid
Sources

Physical Properties

Property Value Unit Source
Δf -120.56 kJ/mol Joback Calculated Property
Δfgas -270.43 kJ/mol Joback Calculated Property
Δfus 26.79 kJ/mol Joback Calculated Property
Δvap 77.02 kJ/mol Joback Calculated Property
logPoct/wat 1.60 Crippen Calculated Property
Pc 4339.67 kPa Joback Calculated Property
Tboil 716.97 K Joback Calculated Property
Tc 947.46 K Joback Calculated Property
Tfus 485.74 K Joback Calculated Property
Vc 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 314.41 J/mol×K 716.97 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CH3 1
=CH- (ring) 3
-OH (alcohol) 1
=C< (ring) 3
>C=O (nonring) 1
-NO2 1

Similar Compounds

3-Methyl-6-nitrobenzoic acid. Benzoic acid, 2-nitro-. Benzoic acid, 2-nitro-, methyl ester. 2-Methyl-6-nitrobenzoic acid. 4-Chloro-2-nitrobenzoic acid. 5-Chloro-2-nitrobenzoic acid. Ethyl 2-nitrobenzoate. Trimethylsilyl 2-nitrobenzate. Benzoic acid, 2,5-dinitro-. Benzoic acid, (3-methyl-2-nitrophenyl)methyl ester. 3-Nitrophthalic acid. Benzoic acid, 2,4,6-trinitro-. Formic acid, (3-methyl-2-nitrophenyl)methyl ester. 3-Methyl-4-nitrobenzoic acid. tert-Butyldimethylsilyl 2-nitrobenzoate.

Find more compounds similar to Benzoic acid, 3-methyl-2-nitro-.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.