ChemSpider 2D Image | (2E)-3-Methyl-2-hexen-4-ynenitrile | C7H7N

(2E)-3-Methyl-2-hexen-4-ynenitrile

  • Molecular FormulaC7H7N
  • Average mass105.137 Da
  • Monoisotopic mass105.057846 Da
  • ChemSpider ID57451597

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-Methyl-2-hexen-4-innitril [German] [ACD/IUPAC Name]
(2E)-3-Methyl-2-hexen-4-ynenitrile [ACD/IUPAC Name]
(2E)-3-Méthyl-2-hexén-4-ynenitrile [French] [ACD/IUPAC Name]
2-Hexen-4-ynenitrile, 3-methyl-, (2E)- [ACD/Index Name]
(2E)-3-METHYLHEX-2-EN-4-YNENITRILE
34890-84-1 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 175.2±23.0 °C at 760 mmHg
Vapour Pressure: 1.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.2±3.0 kJ/mol
Flash Point: 59.2±15.1 °C
Index of Refraction: 1.478
Molar Refractivity: 32.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.71
ACD/KOC (pH 5.5): 261.23
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.71
ACD/KOC (pH 7.4): 261.23
Polar Surface Area: 24 Å2
Polarizability: 12.8±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 114.2±3.0 cm3

Click to predict properties on the Chemicalize site


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