ChemSpider 2D Image | Methyl (3S)-3-acetoxyoctanoate | C11H20O4

Methyl (3S)-3-acetoxyoctanoate

  • Molecular FormulaC11H20O4
  • Average mass216.274 Da
  • Monoisotopic mass216.136154 Da
  • ChemSpider ID34988904

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Acétoxyoctanoate de méthyle [French] [ACD/IUPAC Name]
Methyl (3S)-3-acetoxyoctanoate [ACD/IUPAC Name]
Methyl-(3S)-3-acetoxyoctanoat [German] [ACD/IUPAC Name]
Octanoic acid, 3-(acetyloxy)-, methyl ester, (3S)- [ACD/Index Name]
252-452-5 [EINECS]
35234-21-0 [RN]
Methyl 3-acetoxyoctanoate [ACD/IUPAC Name]
UNII-16KH805BNJ

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

Density: 1.0±0.1 g/cm3
Boiling Point: 220.8±13.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.7±3.0 kJ/mol
Flash Point: 92.5±18.2 °C
Index of Refraction: 1.433
Molar Refractivity: 56.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 102.63
ACD/KOC (pH 5.5): 957.84
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 102.63
ACD/KOC (pH 7.4): 957.84
Polar Surface Area: 53 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 31.9±3.0 dyne/cm
Molar Volume: 217.5±3.0 cm3

Click to predict properties on the Chemicalize site


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