ChemSpider 2D Image | (2R)-2-Phenylhexanenitrile | C12H15N

(2R)-2-Phenylhexanenitrile

  • Molecular FormulaC12H15N
  • Average mass173.254 Da
  • Monoisotopic mass173.120453 Da
  • ChemSpider ID32787064

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Phenylhexanenitrile [ACD/IUPAC Name]
(2R)-2-Phénylhexanenitrile [French] [ACD/IUPAC Name]
(2R)-2-Phenylhexannitril [German] [ACD/IUPAC Name]
Benzeneacetonitrile, α-butyl-, (αR)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 272.8±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.1±3.0 kJ/mol
Flash Point: 121.9±5.1 °C
Index of Refraction: 1.507
Molar Refractivity: 54.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 172.76
ACD/KOC (pH 5.5): 1390.50
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 172.76
ACD/KOC (pH 7.4): 1390.50
Polar Surface Area: 24 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 182.4±3.0 cm3

Click to predict properties on the Chemicalize site


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