ChemSpider 2D Image | 1-Methyl-4-(nitromethyl)benzene | C8H9NO2

1-Methyl-4-(nitromethyl)benzene

  • Molecular FormulaC8H9NO2
  • Average mass151.163 Da
  • Monoisotopic mass151.063324 Da
  • ChemSpider ID15291036

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Methyl-4-(nitromethyl)benzene [ACD/IUPAC Name]
1-Méthyl-4-(nitrométhyl)benzène [French] [ACD/IUPAC Name]
1-Methyl-4-(nitromethyl)benzol [German] [ACD/IUPAC Name]
Benzene, 1-methyl-4-(nitromethyl)- [ACD/Index Name]
29559-27-1 [RN]
MFCD31622589
p-Tolylnitromethan

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 246.6±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.4±3.0 kJ/mol
Flash Point: 108.0±11.5 °C
Index of Refraction: 1.536
Molar Refractivity: 42.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.07
ACD/KOC (pH 5.5): 285.15
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 6.65
ACD/KOC (pH 7.4): 99.47
Polar Surface Area: 46 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 134.8±3.0 cm3

Click to predict properties on the Chemicalize site


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