ChemSpider 2D Image | (3S)-2,2,3-Trimethyl-3-hexanol | C9H20O

(3S)-2,2,3-Trimethyl-3-hexanol

  • Molecular FormulaC9H20O
  • Average mass144.255 Da
  • Monoisotopic mass144.151413 Da
  • ChemSpider ID21428735

More details:

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

(3S)-2,2,3-Trimethyl-3-hexanol
2,2,3-Trimethyl-3-hexanol [ACD/IUPAC Name]
2,2,3-Trimethyl-3-hexanol [German] [ACD/IUPAC Name]
2,2,3-Triméthyl-3-hexanol [French] [ACD/IUPAC Name]
3-Hexanol, 2,2,3-trimethyl- [ACD/Index Name]
5340-41-0 [RN]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 170.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.6 mmHg at 25°C
Enthalpy of Vaporization: 47.3±6.0 kJ/mol
Flash Point: 57.9±8.6 °C
Index of Refraction: 1.431
Molar Refractivity: 45.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.85
ACD/KOC (pH 5.5): 627.57
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.85
ACD/KOC (pH 7.4): 627.57
Polar Surface Area: 20 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 26.7±3.0 dyne/cm
Molar Volume: 174.7±3.0 cm3

Click to predict properties on the Chemicalize site


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