ChemSpider 2D Image | 4-(2-Propyn-1-yl)benzonitrile | C10H7N

4-(2-Propyn-1-yl)benzonitrile

  • Molecular FormulaC10H7N
  • Average mass141.169 Da
  • Monoisotopic mass141.057846 Da
  • ChemSpider ID60740043

More details:

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

4-(2-Propin-1-yl)benzonitril [German] [ACD/IUPAC Name]
4-(2-Propyn-1-yl)benzonitrile [ACD/IUPAC Name]
4-(2-Propyn-1-yl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-(2-propyn-1-yl)- [ACD/Index Name]
1260663-61-3 [RN]
4-(prop-2-yn-1-yl)benzonitrile
4-prop-2-ynylbenzonitrile
MFCD18250553

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

Density: 1.1±0.1 g/cm3
Boiling Point: 239.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.7±3.0 kJ/mol
Flash Point: 98.6±15.1 °C
Index of Refraction: 1.555
Molar Refractivity: 43.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 38.26
ACD/KOC (pH 5.5): 472.61
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 38.26
ACD/KOC (pH 7.4): 472.61
Polar Surface Area: 24 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 134.1±5.0 cm3

Click to predict properties on the Chemicalize site


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