ChemSpider 2D Image | (5S)-5-[(6S)-6-Methyloctyl]-2(5H)-furanone | C13H22O2

(5S)-5-[(6S)-6-Methyloctyl]-2(5H)-furanone

  • Molecular FormulaC13H22O2
  • Average mass210.313 Da
  • Monoisotopic mass210.161987 Da
  • ChemSpider ID35517009

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S)-5-[(6S)-6-Methyloctyl]-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-5-[(6S)-6-Methyloctyl]-2(5H)-furanone [ACD/IUPAC Name]
(5S)-5-[(6S)-6-Méthyloctyl]-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 5-[(6S)-6-methyloctyl]-, (5S)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 325.9±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.8±3.0 kJ/mol
Flash Point: 134.5±16.7 °C
Index of Refraction: 1.464
Molar Refractivity: 61.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 609.47
ACD/KOC (pH 5.5): 3428.25
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 609.47
ACD/KOC (pH 7.4): 3428.25
Polar Surface Area: 26 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 31.9±3.0 dyne/cm
Molar Volume: 223.0±3.0 cm3

Click to predict properties on the Chemicalize site


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