ChemSpider 2D Image | (2E)-3-(4,7,7-Trimethylbicyclo[4.1.0]hept-3-yl)acrylonitrile | C13H19N

(2E)-3-(4,7,7-Trimethylbicyclo[4.1.0]hept-3-yl)acrylonitrile

  • Molecular FormulaC13H19N
  • Average mass189.297 Da
  • Monoisotopic mass189.151749 Da
  • ChemSpider ID21167872

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4,7,7-Trimethylbicyclo[4.1.0]hept-3-yl)acrylonitril [German] [ACD/IUPAC Name]
(2E)-3-(4,7,7-Trimethylbicyclo[4.1.0]hept-3-yl)acrylonitrile [ACD/IUPAC Name]
(2E)-3-(4,7,7-Triméthylbicyclo[4.1.0]hept-3-yl)acrylonitrile [French] [ACD/IUPAC Name]
272-319-5 [EINECS]
2-Propenenitrile, 3-(4,7,7-trimethylbicyclo[4.1.0]hept-3-yl)-, (2E)- [ACD/Index Name]
3-{4,7,7-TRIMETHYLBICYCLO[4.1.0]HEPTAN-3-YL}PROP-2-ENENITRILE
68804-00-2 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 274.1±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.2±3.0 kJ/mol
Flash Point: 119.8±11.2 °C
Index of Refraction: 1.535
Molar Refractivity: 60.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1039.56
ACD/KOC (pH 5.5): 5024.14
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1039.56
ACD/KOC (pH 7.4): 5024.14
Polar Surface Area: 24 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 192.9±3.0 cm3

Click to predict properties on the Chemicalize site


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