ChemSpider 2D Image | 2,3-Dihydroxypropyl 3-oxooctanoate | C11H20O5

2,3-Dihydroxypropyl 3-oxooctanoate

  • Molecular FormulaC11H20O5
  • Average mass232.273 Da
  • Monoisotopic mass232.131073 Da
  • ChemSpider ID21105985

More details:

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

2,3-Dihydroxypropyl 3-oxooctanoate [ACD/IUPAC Name]
2,3-Dihydroxypropyl-3-oxooctanoat [German] [ACD/IUPAC Name]
3-Oxooctanoate de 2,3-dihydroxypropyle [French] [ACD/IUPAC Name]
91052-68-5 [RN]
Octanoic acid, 3-oxo-, 2,3-dihydroxypropyl ester [ACD/Index Name]
Q1YQ1OV1V5 [WLN]
FEMA 3771
UNII-743960W5WQ

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

AQY7B2A2SM [DBID]
UNII:AQY7B2A2SM [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 379.3±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.6±6.0 kJ/mol
Flash Point: 141.2±17.2 °C
Index of Refraction: 1.473
Molar Refractivity: 57.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.24
ACD/KOC (pH 5.5): 80.81
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.24
ACD/KOC (pH 7.4): 80.66
Polar Surface Area: 84 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 206.1±3.0 cm3

Click to predict properties on the Chemicalize site


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