ChemSpider 2D Image | Methyl (2R,3S)-2,3-dihydroxyoctanoate | C9H18O4

Methyl (2R,3S)-2,3-dihydroxyoctanoate

  • Molecular FormulaC9H18O4
  • Average mass190.237 Da
  • Monoisotopic mass190.120514 Da
  • ChemSpider ID57585176

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-2,3-Dihydroxyoctanoate de méthyle [French] [ACD/IUPAC Name]
Methyl (2R,3S)-2,3-dihydroxyoctanoate [ACD/IUPAC Name]
Methyl-(2R,3S)-2,3-dihydroxyoctanoat [German] [ACD/IUPAC Name]
Octanoic acid, 2,3-dihydroxy-, methyl ester, (2R,3S)- [ACD/Index Name]
1593758-37-2 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 299.6±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.6±6.0 kJ/mol
Flash Point: 112.1±11.7 °C
Index of Refraction: 1.462
Molar Refractivity: 48.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.65
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.90
ACD/KOC (pH 5.5): 108.58
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.90
ACD/KOC (pH 7.4): 108.58
Polar Surface Area: 67 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 176.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement