Chemical Properties of Benzene, 1,3-dimethyl-2-nitro- (CAS 81-20-9)

Benzene, 1,3-dimethyl-2-nitro-

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InChI
InChI=1S/C8H9NO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3
InChI Key
HDFQKJQEWGVKCQ-UHFFFAOYSA-N
Formula
C8H9NO2
SMILES
Cc1cccc(C)c1[N+](=O)[O-]
Molecular Weight1
151.16
CAS
81-20-9
Other Names
  • 1,3-Dimethyl-2-nitrobenzene
  • 2,6-Dimethylnitrobenzene
  • 2-Nitro-1,3-dimethylbenzene
  • 2-Nitro-m-xylene
  • m-Xylene, 2-nitro-
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4383.50 ± 0.70 kJ/mol NIST
EA 0.81 ± 0.05 eV NIST
EA 0.74 ± 0.09 eV NIST
EA 2.61 ± 0.05 eV NIST
Δf 145.18 kJ/mol Joback Calculated Property
Δfgas 8.60 ± 1.60 kJ/mol NIST
Δfliquid -50.80 ± 1.30 kJ/mol NIST
Δfus 21.10 kJ/mol Joback Calculated Property
Δvap 57.50 ± 0.80 kJ/mol NIST
Δvap 59.40 ± 0.90 kJ/mol NIST
IE 9.17 ± 0.01 eV NIST
IE 9.17 eV NIST
logPoct/wat 2.21 Crippen Calculated Property
Pc 3572.80 kPa Joback Calculated Property
Tboil 498.20 K NIST
Tc 816.66 K Joback Calculated Property
Tfus 288.00 ± 0.40 K NIST
Tfus 288.55 ± 0.30 K NIST
Vc 0.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 264.31 J/mol×K 570.92 Joback Calculated Property
ΔvapH 57.20 ± 0.80 kJ/mol 303.5 NIST
ΔvapH 49.70 kJ/mol 435.5 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 3
-NO2 1
-CH3 2
=CH- (ring) 3

Similar Compounds

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

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