Chemical Properties of Benzene, 1-methyl-2-nitro- (CAS 88-72-2)

Benzene, 1-methyl-2-nitro-

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InChI
InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
InChI Key
PLAZTCDQAHEYBI-UHFFFAOYSA-N
Formula
C7H7NO2
SMILES
Cc1ccccc1[N+](=O)[O-]
Molecular Weight1
137.14
CAS
88-72-2
Other Names
  • 1-Methyl-2-Nitrobenzene
  • 2-Methyl-1-nitrobenzene
  • 2-Methylnitrobenzene
  • 2-Nitrotoluene
  • NSC 9577
  • ONT
  • Toluene, o-nitro-
  • o-Methylnitrobenzene
  • o-Nitrotoluene
Sources

Physical Properties

Property Value Unit Source
Δcliquid -3745.30 ± 3.80 kJ/mol NIST
Δcliquid -3754.00 kJ/mol NIST
EA [0.88; 1.24] eV Show Hide
EA 0.92 ± 0.10 eV NIST
EA 0.95 ± 0.05 eV NIST
EA 0.88 ± 0.03 eV NIST
EA 1.24 ± 0.05 eV NIST
Δf 146.39 kJ/mol Joback Calculated Property
Δfgas 26.49 kJ/mol Joback Calculated Property
Δfus 18.90 kJ/mol Joback Calculated Property
Δvap 59.60 ± 1.60 kJ/mol NIST
Δvap 59.10 ± 0.30 kJ/mol NIST
IE [9.24; 10.20] eV Show Hide
IE 9.24 eV NIST
IE 9.24 eV NIST
IE 9.51 ± 0.03 eV NIST
IE 9.50 eV NIST
IE 9.43 ± 0.05 eV NIST
IE 9.63 eV NIST
IE Outlier 10.20 ± 0.10 eV NIST
IE 9.69 ± 0.01 eV NIST
logPoct/wat 1.90 Crippen Calculated Property
Pc 4098.62 kPa Joback Calculated Property
Tboil [494.90; 498.85] K Show Hide
Tboil 498.20 K NIST
Tboil 494.90 K NIST
Tboil 495.30 ± 0.07 K NIST
Tboil 495.00 ± 0.30 K NIST
Tboil 495.45 ± 0.40 K NIST
Tboil 495.45 ± 0.50 K NIST
Tboil 498.85 ± 1.00 K NIST
Tc 793.00 K Joback Calculated Property
Tfus [263.60; 282.60] K Show Hide
Tfus 270.05 ± 0.30 K NIST
Tfus 270.25 ± 0.20 K NIST
Tfus 269.06 ± 0.05 K NIST
Tfus Outlier 282.60 ± 0.50 K NIST
Tfus 263.60 ± 0.30 K NIST
Tfus 269.30 ± 0.30 K NIST
Vc 0.40 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 221.40 J/mol×K 543.06 Joback Calculated Property
Cp,liquid 202.50 J/mol×K 302.3 NIST
ΔvapH [51.00; 59.00] kJ/mol [298.50; 449.00] Show Hide
ΔvapH 59.00 ± 0.30 kJ/mol 298.5 NIST
ΔvapH 52.00 kJ/mol 418.0 NIST
ΔvapH 52.20 kJ/mol 440.0 NIST
ΔvapH 51.00 kJ/mol 449.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-NO2 1
-CH3 1
=CH- (ring) 4

Similar Compounds

Benzene, 1,3-dimethyl-2-nitro-. Benzene, 2,4-dimethyl-1-nitro-. Benzenamine, 3-methyl-4-nitro-. Benzene, 1,4-dimethyl-2-nitro-. Benzene, 1,3,5-trimethyl-2-nitro-. Benzene, 1-(chloromethyl)-2-nitro-. Benzene, 1-ethyl-2-nitro-. 2-Methyl-3-nitroaniline. Benzenamine, 4-methyl-3-nitro-. Benzenemethanol, 2-nitro-. 2-Nitrobenzyl bromide. Benzaldehyde, 2-nitro-. 2-Nitrobenzoic acid nitrile. Toluene, 4-iodo-2-nitro. Benzene, 4-fluoro-2-methyl-1-nitro-.

Find more compounds similar to Benzene, 1-methyl-2-nitro-.

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.