ChemSpider 2D Image | (3S)-3,5-Dimethyl-1-hexanol | C8H18O

(3S)-3,5-Dimethyl-1-hexanol

  • Molecular FormulaC8H18O
  • Average mass130.228 Da
  • Monoisotopic mass130.135757 Da
  • ChemSpider ID61498434

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3,5-Dimethyl-1-hexanol [German] [ACD/IUPAC Name]
(3S)-3,5-Dimethyl-1-hexanol [ACD/IUPAC Name]
(3S)-3,5-Diméthyl-1-hexanol [French] [ACD/IUPAC Name]
1-Hexanol, 3,5-dimethyl-, (3S)- [ACD/Index Name]
177019-37-3 [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: 171.3±8.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.7 mmHg at 25°C
Enthalpy of Vaporization: 47.5±6.0 kJ/mol
Flash Point: 64.2±8.7 °C
Index of Refraction: 1.424
Molar Refractivity: 40.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.70
ACD/KOC (pH 5.5): 394.28
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.70
ACD/KOC (pH 7.4): 394.28
Polar Surface Area: 20 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 27.0±3.0 dyne/cm
Molar Volume: 158.8±3.0 cm3

Click to predict properties on the Chemicalize site


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