ChemSpider 2D Image | (2S)-2-[(R)-Phenyl(~2~H_1_)methyl]-1-hexanol | C13H19DO

(2S)-2-[(R)-Phenyl(2H1)methyl]-1-hexanol

  • Molecular FormulaC13H19DO
  • Average mass193.303 Da
  • Monoisotopic mass193.157700 Da
  • ChemSpider ID9369950

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S)-2-[(R)-Phenyl(2H1)methyl]-1-hexanol [ACD/IUPAC Name]
(2S)-2-[(R)-Phenyl(2H1)methyl]-1-hexanol [German] [ACD/IUPAC Name]
(2S)-2-[(R)-Phényl(2H1)méthyl]-1-hexanol [French] [ACD/IUPAC Name]
Benzenepropan-γ-d-ol, β-butyl-, (βS,γR)- [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: 298.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.8±3.0 kJ/mol
Flash Point: 118.7±14.5 °C
Index of Refraction: 1.508
Molar Refractivity: 60.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 190.68
ACD/KOC (pH 5.5): 1492.29
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 190.68
ACD/KOC (pH 7.4): 1492.29
Polar Surface Area: 20 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 202.7±3.0 cm3

Click to predict properties on the Chemicalize site


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