ChemSpider 2D Image | Dinitrodurene | C10H12N2O4

Dinitrodurene

  • Molecular FormulaC10H12N2O4
  • Average mass224.213 Da
  • Monoisotopic mass224.079712 Da
  • ChemSpider ID28534421

More details:

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

1-(Dinitromethyl)-2,4,5-trimethylbenzene [ACD/IUPAC Name]
1-(Dinitrométhyl)-2,4,5-triméthylbenzène [French] [ACD/IUPAC Name]
1-(Dinitromethyl)-2,4,5-trimethylbenzol [German] [ACD/IUPAC Name]
4674-22-0 [RN]
Benzene, 1-(dinitromethyl)-2,4,5-trimethyl- [ACD/Index Name]
Dinitrodurene
5465-13-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 322.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.4±3.0 kJ/mol
Flash Point: 143.3±19.3 °C
Index of Refraction: 1.551
Molar Refractivity: 57.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 3.47
ACD/KOC (pH 5.5): 30.21
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.94
Polar Surface Area: 92 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 180.9±3.0 cm3

Click to predict properties on the Chemicalize site


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