ChemSpider 2D Image | (R)-2-hydroxy-2-methylbutyronitrile | C5H9NO

(R)-2-hydroxy-2-methylbutyronitrile

  • Molecular FormulaC5H9NO
  • Average mass99.131 Da
  • Monoisotopic mass99.068413 Da
  • ChemSpider ID26332035

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Hydroxy-2-methylbutanenitrile [ACD/IUPAC Name]
(2R)-2-Hydroxy-2-méthylbutanenitrile [French] [ACD/IUPAC Name]
(2R)-2-Hydroxy-2-methylbutannitril [German] [ACD/IUPAC Name]
(R)-2-hydroxy-2-methylbutyronitrile
Butanenitrile, 2-hydroxy-2-methyl-, (2R)- [ACD/Index Name]
(2R)-2-hydroxy-2-cyanobutane
(2R)-2-hydroxy-2-methylbutyronitrile
(2S)-2-Hydroxy-2-methylbutanenitrile [ACD/IUPAC Name]
(R)-butan-2-one cyanohydrin
122045-29-8 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.0±0.1 g/cm3
Boiling Point: 197.3±13.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 50.4±6.0 kJ/mol
Flash Point: 73.1±19.8 °C
Index of Refraction: 1.435
Molar Refractivity: 26.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.01
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.36
ACD/KOC (pH 5.5): 43.43
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 43.43
Polar Surface Area: 44 Å2
Polarizability: 10.6±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 102.0±3.0 cm3

Click to predict properties on the Chemicalize site


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