ChemSpider 2D Image | (5S)-5-Hydroxy-4-octanone | C8H16O2

(5S)-5-Hydroxy-4-octanone

  • Molecular FormulaC8H16O2
  • Average mass144.211 Da
  • Monoisotopic mass144.115036 Da
  • ChemSpider ID32787075
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(5S)-5-Hydroxy-4-octanon [German] [ACD/IUPAC Name]
(5S)-5-Hydroxy-4-octanone [ACD/IUPAC Name]
(5S)-5-Hydroxy-4-octanone [French] [ACD/IUPAC Name]
4-Octanone, 5-hydroxy-, (5S)- [ACD/Index Name]
207-830-4 [EINECS]
496-77-5 [RN]
86838-18-8 [RN]
Butyroin
UNII-WG070EDJ4X

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 187.7±8.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.8 mmHg at 25°C
Enthalpy of Vaporization: 49.3±6.0 kJ/mol
Flash Point: 72.0±11.0 °C
Index of Refraction: 1.435
Molar Refractivity: 40.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.21
ACD/KOC (pH 5.5): 143.09
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.21
ACD/KOC (pH 7.4): 143.09
Polar Surface Area: 37 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 31.8±3.0 dyne/cm
Molar Volume: 155.6±3.0 cm3

Click to predict properties on the Chemicalize site






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