ChemSpider 2D Image | (3R)-3-Octanyl butyrate | C12H24O2

(3R)-3-Octanyl butyrate

  • Molecular FormulaC12H24O2
  • Average mass200.318 Da
  • Monoisotopic mass200.177628 Da
  • ChemSpider ID34984528

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Octanyl butyrate [ACD/IUPAC Name]
(3R)-3-Octanylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, (1R)-1-ethylhexyl ester [ACD/Index Name]
Butyrate de (3R)-3-octanyle [French] [ACD/IUPAC Name]
20286-45-7 [RN]
243-687-4 [EINECS]
3-OCTYL BUTYRATE
UNII-484AMY2W8G

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

Density: 0.9±0.1 g/cm3
Boiling Point: 231.9±8.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.9±3.0 kJ/mol
Flash Point: 94.0±8.3 °C
Index of Refraction: 1.429
Molar Refractivity: 59.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1627.61
ACD/KOC (pH 5.5): 6925.10
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1627.61
ACD/KOC (pH 7.4): 6925.10
Polar Surface Area: 26 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 28.3±3.0 dyne/cm
Molar Volume: 230.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement