ChemSpider 2D Image | (2R)-2-Ethylhexyl octanoate | C16H32O2

(2R)-2-Ethylhexyl octanoate

  • Molecular FormulaC16H32O2
  • Average mass256.424 Da
  • Monoisotopic mass256.240234 Da
  • ChemSpider ID34987423

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Ethylhexyl octanoate [ACD/IUPAC Name]
(2R)-2-Ethylhexyl-octanoat [German] [ACD/IUPAC Name]
Octanoate de (2R)-2-éthylhexyle [French] [ACD/IUPAC Name]
Octanoic acid, (2R)-2-ethylhexyl ester [ACD/Index Name]
264-098-9 [EINECS]
2-ETHYLHEXYL CAPRYLATE
63321-70-0 [RN]
ETHYLHEXYL CAPRYLATE/CAPRATE
UNII-7RXW88PS4S
UNII-M08O47I80J

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

Density: 0.9±0.1 g/cm3
Boiling Point: 296.8±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.7±3.0 kJ/mol
Flash Point: 134.7±8.3 °C
Index of Refraction: 1.438
Molar Refractivity: 77.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 7.06
ACD/BCF (pH 5.5): 135923.81
ACD/KOC (pH 5.5): 164433.59
ACD/LogD (pH 7.4): 7.06
ACD/BCF (pH 7.4): 135923.81
ACD/KOC (pH 7.4): 164433.59
Polar Surface Area: 26 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 29.5±3.0 dyne/cm
Molar Volume: 296.5±3.0 cm3

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