Chemical Properties of Benzene, 1,3,5-trimethyl-2-nitro- (CAS 603-71-4)

Benzene, 1,3,5-trimethyl-2-nitro-

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InChI
InChI=1S/C9H11NO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3
InChI Key
SCEKDQTVGHRSNS-UHFFFAOYSA-N
Formula
C9H11NO2
SMILES
Cc1cc(C)c([N+](=O)[O-])c(C)c1
Molecular Weight1
165.19
CAS
603-71-4
Other Names
  • 1,3,5-Trimethyl-2-nitrobenzene
  • 2,4,6-Trimethyl-1-nitrobenzene
  • 2,4,6-Trimethylnitrobenzene
  • 2-Nitromesitylene
  • Mesitylene, 2-nitro-
  • Mononitromesitylene
  • NSC 5413
  • Nitromesitylene
Sources

Physical Properties

Property Value Unit Source
PAff 823.80 kJ/mol NIST
BasG 793.10 kJ/mol NIST
Δcsolid -5008.20 ± 1.60 kJ/mol NIST
EA [0.70; 0.78] eV Show Hide
EA 0.70 ± 0.10 eV NIST
EA 0.71 ± 0.10 eV NIST
EA 0.71 ± 0.09 eV NIST
EA 0.78 ± 0.05 eV NIST
Δf 143.97 kJ/mol Joback Calculated Property
Δfgas -26.80 ± 2.20 kJ/mol NIST
Δfsolid -105.40 ± 2.00 kJ/mol NIST
Δfus 23.30 kJ/mol Joback Calculated Property
Δsub 78.60 ± 1.00 kJ/mol NIST
Δsub 78.60 ± 1.00 kJ/mol NIST
Δvap 56.48 kJ/mol Joback Calculated Property
IE 8.80 eV NIST
IE 9.01 eV NIST
logPoct/wat 2.52 Crippen Calculated Property
Pc 3142.03 kPa Joback Calculated Property
Tboil 528.20 K NIST
Tc 840.34 K Joback Calculated Property
Tfus 317.00 ± 1.50 K NIST
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 308.91 J/mol×K 598.78 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 4
-NO2 1
-CH3 3
=CH- (ring) 2

Similar Compounds

Benzene, 2,4-dimethyl-1-nitro-. Benzene, 1,3-dimethyl-2-nitro-. Benzene, 1-methyl-2-nitro-. 4,6-Dinitro-1,3-dimethyl-benzene. Pentamethylnitrobenzene. Dinitromesitylene. 2,4-Dinitro-1,3-dimethyl-benzene. Formic acid, (3-methyl-4-nitrophenyl)methyl ester. 2,4,6-Trimethylnitrosobenzene. Benzene, 1,2-dimethyl-3-nitro-. Benzenamine, 4-methyl-3-nitro-. Benzene, 1-methyl-2,4-dinitro-. Acetic acid, (3-methyl-4-nitrophenyl)methyl ester. Benzenamine, 3-methyl-4-nitro-. Benzene, 1,4-dimethyl-2-nitro-.

Find more compounds similar to Benzene, 1,3,5-trimethyl-2-nitro-.

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