ChemSpider 2D Image | (3R,6S)-3,6-Octanediol | C8H18O2

(3R,6S)-3,6-Octanediol

  • Molecular FormulaC8H18O2
  • Average mass146.227 Da
  • Monoisotopic mass146.130676 Da
  • ChemSpider ID61032994

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,6S)-3,6-Octandiol [German] [ACD/IUPAC Name]
(3R,6S)-3,6-Octanediol [ACD/IUPAC Name]
(3R,6S)-3,6-Octanediol [French] [ACD/IUPAC Name]
3,6-Octanediol, (3R,6S)- [ACD/Index Name]
318950-15-1 [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: 240.8±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.5±6.0 kJ/mol
Flash Point: 124.5±7.2 °C
Index of Refraction: 1.451
Molar Refractivity: 42.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.90
ACD/KOC (pH 5.5): 123.99
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.90
ACD/KOC (pH 7.4): 123.99
Polar Surface Area: 40 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 156.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement