Chemical Properties of Acetic acid, m-nitrophenyl- (CAS 1877-73-2)

Acetic acid, m-nitrophenyl-

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InChI
InChI=1S/C8H7NO4/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-4H,5H2,(H,10,11)
InChI Key
WUKHOVCMWXMOOA-UHFFFAOYSA-N
Formula
C8H7NO4
SMILES
O=C(O)Cc1cccc([N+](=O)[O-])c1
Molecular Weight1
181.15
CAS
1877-73-2
Other Names
  • 3-Nitrobenzeneacetic acid
  • 3-Nitrophenylacetic acid
  • Acetic acid, (m-nitrophenyl)-
  • m-Nitrophenyl acetic acid
Sources

Physical Properties

Property Value Unit Source
Δf -110.93 kJ/mol Joback Calculated Property
Δfgas -258.96 kJ/mol Joback Calculated Property
Δfus 27.18 kJ/mol Joback Calculated Property
Δvap 76.36 kJ/mol Joback Calculated Property
logPoct/wat 1.222 Crippen Calculated Property
Pc 4426.72 kPa Joback Calculated Property
Tboil 711.99 K Joback Calculated Property
Tc 941.67 K Joback Calculated Property
Tfus 390.65 ± 2.00 K NIST
Vc 0.482 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 316.34 J/mol×K 711.99 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=CH- (ring) 4
-NO2 1
=C< (ring) 2
-CH2- 1
>C=O (nonring) 1
-OH (alcohol) 1

Similar Compounds

Methyl (3-nitrophenyl)acetate. Benzeneethanol, 3-nitro-. Formic acid, 2-(3-nitrophenyl)ethyl ester. Benzeneethanol, 3-nitro-, acetate (ester). 1-Ethyl-3-nitrobenzene. 4-Hydroxy-3-nitrophenylacetic acid. Benzeneacetonitrile, 3-nitro-. 1-tert-Butyl-3-nitrobenzene. Glutaric acid, ethyl 3-nitrophenethyl ester. Glutaric acid, 3-nitrophenethyl propyl ester. Sebacic acid, ethyl 2-(3-nitrophenyl)ethyl ester. Succinic acid, 2-(3-nitrophenyl)ethyl propyl ester. Glutaric acid, butyl 3-nitrophenethyl ester. Sebacic acid, 2-(3-nitrophenyl)ethyl propyl ester. Glutaric acid, 3-nitrophenethyl pentyl ester.

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