ChemSpider 2D Image | (2E)-2-(Chloromethylene)-3-butenenitrile | C5H4ClN

(2E)-2-(Chloromethylene)-3-butenenitrile

  • Molecular FormulaC5H4ClN
  • Average mass113.545 Da
  • Monoisotopic mass113.003227 Da
  • ChemSpider ID102905564

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-(Chlormethylen)-3-butennitril [German] [ACD/IUPAC Name]
(2E)-2-(Chloromethylene)-3-butenenitrile [ACD/IUPAC Name]
(2E)-2-(Chlorométhylène)-3-butènenitrile [French] [ACD/IUPAC Name]
3-Butenenitrile, 2-(chloromethylene)-, (2E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 182.5±13.0 °C at 760 mmHg
Vapour Pressure: 0.8±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.9±3.0 kJ/mol
Flash Point: 70.5±14.8 °C
Index of Refraction: 1.479
Molar Refractivity: 29.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.88
ACD/KOC (pH 5.5): 179.30
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.88
ACD/KOC (pH 7.4): 179.30
Polar Surface Area: 24 Å2
Polarizability: 11.7±0.5 10-24cm3
Surface Tension: 33.1±3.0 dyne/cm
Molar Volume: 104.3±3.0 cm3

Click to predict properties on the Chemicalize site


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