ChemSpider 2D Image | (2E)-3-(4-Heptylphenyl)acrylonitrile | C16H21N

(2E)-3-(4-Heptylphenyl)acrylonitrile

  • Molecular FormulaC16H21N
  • Average mass227.345 Da
  • Monoisotopic mass227.167404 Da
  • ChemSpider ID21539101

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-Heptylphenyl)acrylonitril [German] [ACD/IUPAC Name]
(2E)-3-(4-Heptylphenyl)acrylonitrile [ACD/IUPAC Name]
(2E)-3-(4-Heptylphényl)acrylonitrile [French] [ACD/IUPAC Name]
2-Propenenitrile, 3-(4-heptylphenyl)-, (2E)- [ACD/Index Name]
(2E)-3-(4-HEPTYLPHENYL)PROP-2-ENENITRILE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 359.6±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.5±3.0 kJ/mol
Flash Point: 172.2±11.8 °C
Index of Refraction: 1.538
Molar Refractivity: 74.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 6.08
ACD/BCF (pH 5.5): 24613.77
ACD/KOC (pH 5.5): 48393.90
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 24613.77
ACD/KOC (pH 7.4): 48393.90
Polar Surface Area: 24 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 239.1±3.0 cm3

Click to predict properties on the Chemicalize site


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