Chemical Properties of Benzene, 2,4-dimethyl-1-nitro- (CAS 89-87-2)

Benzene, 2,4-dimethyl-1-nitro-

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InChI
InChI=1S/C8H9NO2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3
InChI Key
BBUPBICWUURTNP-UHFFFAOYSA-N
Formula
C8H9NO2
SMILES
Cc1ccc([N+](=O)[O-])c(C)c1
Molecular Weight1
151.16
CAS
89-87-2
Other Names
  • 1,3-Dimethyl-4-nitrobenzene
  • 1-Nitro-2,4-dimethylbenzene
  • 2,4-Dimethyl-1-nitrobenzene
  • 2,4-Dimethylnitrobenzene
  • 4-Nitro-1,3-dimethylbenzene
  • 4-Nitro-1,3-xylene
  • 4-Nitro-m-xylene
  • NSC 50661
  • m-Xylene, 4-nitro-
Sources

Physical Properties

Property Value Unit Source
PAff 831.00 kJ/mol NIST
BasG 798.50 kJ/mol NIST
EA 0.88 ± 0.05 eV NIST
Δf 145.18 kJ/mol Joback Calculated Property
Δfgas -5.62 kJ/mol Joback Calculated Property
Δfus 21.10 kJ/mol Joback Calculated Property
Δvap 53.59 kJ/mol Joback Calculated Property
IE 9.10 eV NIST
IE 9.36 eV NIST
IE 9.38 ± 0.01 eV NIST
logPoct/wat 2.21 Crippen Calculated Property
Pc 3572.80 kPa Joback Calculated Property
Tboil 517.20 K NIST
Tc 816.66 K Joback Calculated Property
Tfus 282.68 ± 0.30 K NIST
Tfus 282.76 ± 0.20 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 57.30 kJ/mol 427.5 NIST
ΔvapH 56.70 kJ/mol 443.0 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, 1,3-dimethyl-2-nitro-. Benzene, 1-methyl-2-nitro-. 4,6-Dinitro-1,3-dimethyl-benzene. Formic acid, (3-methyl-4-nitrophenyl)methyl ester. Benzenamine, 4-methyl-3-nitro-. Benzene, 1-methyl-2,4-dinitro-. Pentamethylnitrobenzene. 2,4-Dinitro-1,3-dimethyl-benzene. 2,4,6-Trimethylnitrosobenzene. Benzenamine, 3-methyl-4-nitro-. Benzene, 1,4-dimethyl-2-nitro-. Dinitromesitylene. Acetic acid, (3-methyl-4-nitrophenyl)methyl ester. 3-Methyl-4-nitrobenzoic acid.

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