Chemical Properties of Phenol, 2-methyl-3,5-dinitro- (CAS 497-56-3)

Phenol, 2-methyl-3,5-dinitro-

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InChI
InChI=1S/C7H6N2O5/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10/h2-3,10H,1H3
InChI Key
KSHJAFFDLKPUMT-UHFFFAOYSA-N
Formula
C7H6N2O5
SMILES
Cc1c(O)cc([N+](=O)[O-])cc1[N+](=O)[O-]
Molecular Weight1
198.13
CAS
497-56-3
Other Names
  • 3,5-Dinitro-o-cresol
  • 3,5-Dinitro-ortho-cresol
  • 4,6-Dinitro-2-hydroxytoluene
  • o-Cresol, 3,5-dinitro-
Sources

Physical Properties

Property Value Unit Source
Δf 17.69 kJ/mol Joback Calculated Property
Δfgas -173.05 kJ/mol Joback Calculated Property
Δfus 35.65 kJ/mol Joback Calculated Property
Δvap 80.97 kJ/mol Joback Calculated Property
logPoct/wat 1.52 Crippen Calculated Property
Pc 4987.39 kPa Joback Calculated Property
Tboil 780.50 K Joback Calculated Property
Tc 1059.76 K Joback Calculated Property
Tfus 619.05 K Joback Calculated Property
Vc 0.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 334.95 J/mol×K 780.5 Joback Calculated Property
ΔsubH 103.30 kJ/mol 307.0 NIST

Molecular Descriptors

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

Similar Compounds

3-Nitro-o-cresol. Benzene, 1-methyl-2,4-dinitro-. Benzene, 1-methoxy-2-methyl-3-nitro-. 4-Methyl-3-nitrophenol. Benzenamine, 2-methyl-3,5-dinitro-. 4,6-Dinitro-1,3-dimethyl-benzene. Trinitrotoluene. 3-Methyl-2,4,6-trinitro-phenol. P-toluidine, 3,5-dinitro-. 5-Nitro-o-cresol. 2-Methyl-5-nitrophenol. 2,4-Dinitro-1,3-dimethyl-benzene. Dinitromesitylene. Benzenamine, 4-methyl-3-nitro-. 2,4-Dinitrobenzaldehyde.

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