ChemSpider 2D Image | (2S)-2-Hydroxy-2,5-dimethylhexanenitrile | C8H15NO

(2S)-2-Hydroxy-2,5-dimethylhexanenitrile

  • Molecular FormulaC8H15NO
  • Average mass141.211 Da
  • Monoisotopic mass141.115356 Da
  • ChemSpider ID57532704

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Hydroxy-2,5-dimethylhexanenitrile [ACD/IUPAC Name]
(2S)-2-Hydroxy-2,5-diméthylhexanenitrile [French] [ACD/IUPAC Name]
(2S)-2-Hydroxy-2,5-dimethylhexannitril [German] [ACD/IUPAC Name]
Hexanenitrile, 2-hydroxy-2,5-dimethyl-, (2S)- [ACD/Index Name]
192568-02-8 [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: 242.1±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.7±6.0 kJ/mol
Flash Point: 100.2±19.8 °C
Index of Refraction: 1.446
Molar Refractivity: 40.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.39
ACD/KOC (pH 5.5): 172.92
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.39
ACD/KOC (pH 7.4): 172.90
Polar Surface Area: 44 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 151.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement