ChemSpider 2D Image | (2S)-2-Methyl-1-hexanol | C7H16O

(2S)-2-Methyl-1-hexanol

  • Molecular FormulaC7H16O
  • Average mass116.201 Da
  • Monoisotopic mass116.120117 Da
  • ChemSpider ID32787011

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Methyl-1-hexanol [German] [ACD/IUPAC Name]
(2S)-2-Methyl-1-hexanol [ACD/IUPAC Name]
(2S)-2-Méthyl-1-hexanol [French] [ACD/IUPAC Name]
1-Hexanol, 2-methyl-, (2S)- [ACD/Index Name]
(2S)-2-METHYLHEXAN-1-OL
(s)-2-methyl-1-hexanol
(S)-2-Methylhexanol-d3
1329614-76-7 [RN]
2-Methyl-1-hexanol [ACD/IUPAC Name]
624-22-6 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.8±0.1 g/cm3
Boiling Point: 161.3±8.0 °C at 760 mmHg
Vapour Pressure: 0.8±0.6 mmHg at 25°C
Enthalpy of Vaporization: 46.3±6.0 kJ/mol
Flash Point: 61.8±6.5 °C
Index of Refraction: 1.421
Molar Refractivity: 36.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.29
ACD/KOC (pH 5.5): 278.67
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.29
ACD/KOC (pH 7.4): 278.67
Polar Surface Area: 20 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 27.4±3.0 dyne/cm
Molar Volume: 142.0±3.0 cm3

Click to predict properties on the Chemicalize site


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