ChemSpider 2D Image | 1,3,7-Octanetriol | C8H18O3

1,3,7-Octanetriol

  • Molecular FormulaC8H18O3
  • Average mass162.227 Da
  • Monoisotopic mass162.125595 Da
  • ChemSpider ID35013644

More details:

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

1,3,7-Octanetriol [ACD/Index Name] [ACD/IUPAC Name]
1,3,7-Octanetriol [French] [ACD/Index Name] [ACD/IUPAC Name]
1,3,7-Octantriol [German] [ACD/IUPAC Name]
"OCTANE-1,3,7-TRIOL"
(3R,7R)-1,3,7-Octanetriol [ACD/IUPAC Name]
(3R,7S)-1,3,7-Octanetriol [ACD/IUPAC Name]
182803-48-1 [RN]
217650-11-8 [RN]
octane-1,3,7-triol

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 334.8±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.9±6.0 kJ/mol
Flash Point: 164.8±16.9 °C
Index of Refraction: 1.479
Molar Refractivity: 43.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.68
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.68
Polar Surface Area: 61 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 153.9±3.0 cm3

Click to predict properties on the Chemicalize site


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