ChemSpider 2D Image | 2,4-Cyclohexadiene-1-carbonitrile | C7H7N

2,4-Cyclohexadiene-1-carbonitrile

  • Molecular FormulaC7H7N
  • Average mass105.137 Da
  • Monoisotopic mass105.057846 Da
  • ChemSpider ID35800664

More details:

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

2,4-Cyclohexadien-1-carbonitril [German] [ACD/IUPAC Name]
2,4-Cyclohexadiene-1-carbonitrile [ACD/Index Name] [ACD/IUPAC Name]
2,4-Cyclohexadiène-1-carbonitrile [French] [ACD/IUPAC Name]
76356-97-3 [RN]
Cyclohexa-2,4-diene-1-carbonitrile

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

Density: 1.0±0.1 g/cm3
Boiling Point: 215.2±29.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.2±3.0 kJ/mol
Flash Point: 72.5±17.1 °C
Index of Refraction: 1.515
Molar Refractivity: 32.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 14.01
ACD/KOC (pH 5.5): 230.30
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 14.01
ACD/KOC (pH 7.4): 230.30
Polar Surface Area: 24 Å2
Polarizability: 12.7±0.5 10-24cm3
Surface Tension: 37.2±5.0 dyne/cm
Molar Volume: 106.6±5.0 cm3

Click to predict properties on the Chemicalize site


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