ChemSpider 2D Image | Ethyl (3S)-3-hydroxyoctanoate | C10H20O3

Ethyl (3S)-3-hydroxyoctanoate

  • Molecular FormulaC10H20O3
  • Average mass188.264 Da
  • Monoisotopic mass188.141251 Da
  • ChemSpider ID32787770

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Hydroxyoctanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (3S)-3-hydroxyoctanoate [ACD/IUPAC Name]
Ethyl-(3S)-3-hydroxyoctanoat [German] [ACD/IUPAC Name]
Octanoic acid, 3-hydroxy-, ethyl ester, (3S)- [ACD/Index Name]
230-919-4 [EINECS]
7367-90-0 [RN]
Ethyl 3-hydroxyoctanoate [ACD/IUPAC Name]
UNII-6RC31Z1JXT

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

Density: 1.0±0.1 g/cm3
Boiling Point: 277.5±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 59.9±6.0 kJ/mol
Flash Point: 108.7±12.6 °C
Index of Refraction: 1.443
Molar Refractivity: 51.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.71
ACD/KOC (pH 5.5): 494.14
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.71
ACD/KOC (pH 7.4): 494.14
Polar Surface Area: 47 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 33.4±3.0 dyne/cm
Molar Volume: 195.0±3.0 cm3

Click to predict properties on the Chemicalize site


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