ChemSpider 2D Image | Ethyl (5R)-5-acetoxyoctanoate | C12H22O4

Ethyl (5R)-5-acetoxyoctanoate

  • Molecular FormulaC12H22O4
  • Average mass230.301 Da
  • Monoisotopic mass230.151810 Da
  • ChemSpider ID34990759
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(5R)-5-Acétoxyoctanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (5R)-5-acetoxyoctanoate [ACD/IUPAC Name]
Ethyl-(5R)-5-acetoxyoctanoat [German] [ACD/IUPAC Name]
Octanoic acid, 5-(acetyloxy)-, ethyl ester, (5R)- [ACD/Index Name]
35234-25-4 [RN]
Ethyl 5-acetoxyoctanoate [ACD/IUPAC Name]
UNII-GDC3XJ7Z3X

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 283.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.2±3.0 kJ/mol
Flash Point: 128.9±21.0 °C
Index of Refraction: 1.436
Molar Refractivity: 61.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 139.51
ACD/KOC (pH 5.5): 1193.20
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 139.51
ACD/KOC (pH 7.4): 1193.20
Polar Surface Area: 53 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 32.0±3.0 dyne/cm
Molar Volume: 234.0±3.0 cm3

Click to predict properties on the Chemicalize site






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