ChemSpider 2D Image | (2R,4S)-2,4-Hexanediol | C6H14O2

(2R,4S)-2,4-Hexanediol

  • Molecular FormulaC6H14O2
  • Average mass118.174 Da
  • Monoisotopic mass118.099380 Da
  • ChemSpider ID61696894

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,4S)-2,4-Hexandiol [German] [ACD/IUPAC Name]
(2R,4S)-2,4-Hexanediol [ACD/IUPAC Name]
(2R,4S)-2,4-Hexanediol [French] [ACD/IUPAC Name]
2,4-Hexanediol, (2R,4S)- [ACD/Index Name]
118005-75-7 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 217.0±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 52.7±6.0 kJ/mol
Flash Point: 109.2±7.2 °C
Index of Refraction: 1.445
Molar Refractivity: 32.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.19
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.35
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.35
Polar Surface Area: 40 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 123.3±3.0 cm3

Click to predict properties on the Chemicalize site


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