ChemSpider 2D Image | (2R,6S)-2,6-Heptanediol | C7H16O2

(2R,6S)-2,6-Heptanediol

  • Molecular FormulaC7H16O2
  • Average mass132.201 Da
  • Monoisotopic mass132.115036 Da
  • ChemSpider ID27473032

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,6S)-2,6-Heptandiol [German] [ACD/IUPAC Name]
(2R,6S)-2,6-Heptanediol [ACD/IUPAC Name]
(2R,6S)-2,6-Heptanediol [French] [ACD/IUPAC Name]
2,6-Heptanediol, (2R,6S)- [ACD/Index Name]
143170-07-4 [RN]
73237-51-1 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 233.2±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 54.6±6.0 kJ/mol
Flash Point: 119.6±7.2 °C
Index of Refraction: 1.448
Molar Refractivity: 37.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.10
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.23
ACD/KOC (pH 5.5): 61.81
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.23
ACD/KOC (pH 7.4): 61.81
Polar Surface Area: 40 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 139.8±3.0 cm3

Click to predict properties on the Chemicalize site


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