ChemSpider 2D Image | 1,1,1-Trinitroheptane | C7H13N3O6

1,1,1-Trinitroheptane

  • Molecular FormulaC7H13N3O6
  • Average mass235.195 Da
  • Monoisotopic mass235.080429 Da
  • ChemSpider ID67175669

More details:

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

1,1,1-Trinitroheptan [German] [ACD/IUPAC Name]
1,1,1-Trinitroheptane [ACD/IUPAC Name]
1,1,1-Trinitroheptane [French] [ACD/IUPAC Name]
Heptane, 1,1,1-trinitro- [ACD/Index Name]
trinitroheptane

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

Density: 1.3±0.1 g/cm3
Boiling Point: 275.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.4±3.0 kJ/mol
Flash Point: 108.9±14.6 °C
Index of Refraction: 1.487
Molar Refractivity: 52.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1527.90
ACD/KOC (pH 5.5): 6618.72
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1527.90
ACD/KOC (pH 7.4): 6618.72
Polar Surface Area: 137 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 182.5±3.0 cm3

Click to predict properties on the Chemicalize site


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