ChemSpider 2D Image | (3S)-3,7-Dimethyl-1,6-octadien-3-yl octanoate | C18H32O2

(3S)-3,7-Dimethyl-1,6-octadien-3-yl octanoate

  • Molecular FormulaC18H32O2
  • Average mass280.445 Da
  • Monoisotopic mass280.240234 Da
  • ChemSpider ID34988167

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3,7-Dimethyl-1,6-octadien-3-yl octanoate [ACD/IUPAC Name]
(3S)-3,7-Dimethyl-1,6-octadien-3-yl-octanoat [German] [ACD/IUPAC Name]
Octanoate de (3S)-3,7-diméthyl-1,6-octadién-3-yle [French] [ACD/IUPAC Name]
Octanoic acid, (1S)-1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester [ACD/Index Name]
10024-64-3 [RN]
233-026-8 [EINECS]
linalyl octanoate
UNII-9004S7D8YV

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

Density: 0.9±0.1 g/cm3
Boiling Point: 334.7±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.8±3.0 kJ/mol
Flash Point: 82.4±17.6 °C
Index of Refraction: 1.459
Molar Refractivity: 86.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.02
ACD/LogD (pH 5.5): 7.09
ACD/BCF (pH 5.5): 143095.14
ACD/KOC (pH 5.5): 170597.89
ACD/LogD (pH 7.4): 7.09
ACD/BCF (pH 7.4): 143095.14
ACD/KOC (pH 7.4): 170597.89
Polar Surface Area: 26 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 29.5±3.0 dyne/cm
Molar Volume: 317.7±3.0 cm3

Click to predict properties on the Chemicalize site


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