ChemSpider 2D Image | (2S)-2,5-Hexanediol | C6H14O2

(2S)-2,5-Hexanediol

  • Molecular FormulaC6H14O2
  • Average mass118.174 Da
  • Monoisotopic mass118.099380 Da
  • ChemSpider ID34977937

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-2,5-Hexandiol [German] [ACD/IUPAC Name]
(2S)-2,5-Hexanediol [ACD/IUPAC Name]
(2S)-2,5-Hexanediol [French] [ACD/IUPAC Name]
2,5-Hexanediol, (2S)- [ACD/Index Name]
"(2S)-HEXANE-2,5-DIOL"
(2R,5R)-Hexane-2,5-diol
17299-07-9 [RN]
1822327-82-1 [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: 213.4±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 52.3±6.0 kJ/mol
Flash Point: 101.7±0.0 °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: -0.33
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.08
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.08
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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