ChemSpider 2D Image | (3S)-3-(Hydroxymethyl)-2-octanone | C9H18O2

(3S)-3-(Hydroxymethyl)-2-octanone

  • Molecular FormulaC9H18O2
  • Average mass158.238 Da
  • Monoisotopic mass158.130676 Da
  • ChemSpider ID34988631

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(Hydroxymethyl)-2-octanon [German] [ACD/IUPAC Name]
(3S)-3-(Hydroxymethyl)-2-octanone [ACD/IUPAC Name]
(3S)-3-(Hydroxyméthyl)-2-octanone [French] [ACD/IUPAC Name]
2-Octanone, 3-(hydroxymethyl)-, (3S)- [ACD/Index Name]
261-652-1 [EINECS]
3-(Hydroxymethyl)-2-octanone
59191-78-5 [RN]
UNII-9O1364HRDW

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

Density: 0.9±0.1 g/cm3
Boiling Point: 245.2±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 56.0±6.0 kJ/mol
Flash Point: 100.7±12.4 °C
Index of Refraction: 1.439
Molar Refractivity: 45.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 18.00
ACD/KOC (pH 5.5): 275.57
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 18.00
ACD/KOC (pH 7.4): 275.57
Polar Surface Area: 37 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 32.0±3.0 dyne/cm
Molar Volume: 172.1±3.0 cm3

Click to predict properties on the Chemicalize site


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