Chemical Properties of Benzoic acid, 3-nitro-, methyl ester (CAS 618-95-1)

Benzoic acid, 3-nitro-, methyl ester

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InChI
InChI=1S/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3
InChI Key
AXLYJLKKPUICKV-UHFFFAOYSA-N
Formula
C8H7NO4
SMILES
COC(=O)c1cccc([N+](=O)[O-])c1
Molecular Weight1
181.15
CAS
618-95-1
Other Names
  • Benzoic acid, m-nitro-, methyl ester
  • m-Nitrobenzoic acid, methyl ester
  • Methyl m-nitrobenzoate
  • Methyl 3-nitrobenzoate
  • Methyl meta-nitrobenzoate
  • 3-O2N-C6H4-COOCH3
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Physical Properties

Property Value Unit Source
PAff 815.70 kJ/mol NIST
BasG 784.70 kJ/mol NIST
EA 1.23 ± 0.09 eV NIST
Δf -79.11 kJ/mol Joback Calculated Property
Δfgas -238.95 kJ/mol Joback Calculated Property
Δfus 24.28 kJ/mol Joback Calculated Property
Δvap 62.09 kJ/mol Joback Calculated Property
log10WS -2.36 Crippen Calculated Property
logPoct/wat 1.381 Crippen Calculated Property
McVol 124.680 ml/mol McGowan Calculated Property
Pc 3848.31 kPa Joback Calculated Property
Tboil 552.20 K NIST
Tc 889.97 K Joback Calculated Property
Tfus 434.63 K Joback Calculated Property
Vc 0.481 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [298.26; 349.99] J/mol×K [642.23; 889.97] Show Hide
Cp,gas 298.26 J/mol×K 642.23 Joback Calculated Property
Cp,gas 308.88 J/mol×K 683.52 Joback Calculated Property
Cp,gas 318.68 J/mol×K 724.81 Joback Calculated Property
Cp,gas 327.67 J/mol×K 766.10 Joback Calculated Property
Cp,gas 335.88 J/mol×K 807.39 Joback Calculated Property
Cp,gas 343.31 J/mol×K 848.68 Joback Calculated Property
Cp,gas 349.99 J/mol×K 889.97 Joback Calculated Property

Similar Compounds

Ethyl 3-nitrobenzoate. Methyl 3,5-dinitrobenzoate. Benzoic acid, 3-nitro-. 1,3-Benzenedicarboxylic acid, 5-nitro-, dimethyl ester. 1,2-Benzenedicarboxylic acid, 4-nitro-, dimethyl ester. Prop-2-ynyl 3,5-dinitrobenzoate. 3-Nitrobenzoic acid, trimethylsilyl ester. 2,2,2-Trichloroethyl 3,5-dinitrobenzoate. Ethyl 3,5-dinitrobenzoate. 3-Methoxycarbonylphenyl isothiocyanate. Butyl 3-nitrobenzoate. Benzoic acid, 2-nitro-, methyl ester. Benzoic acid, 4-nitro-, methyl ester. Methyl p-nitro benzoate. methyl 4-hydroxy-3-nitrobenzoate.

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

Sources

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