ChemSpider 2D Image | (3S)-3,7-Dimethyl-1,6-octadien-3-yl hexanoate | C16H28O2

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

  • Molecular FormulaC16H28O2
  • Average mass252.392 Da
  • Monoisotopic mass252.208923 Da
  • ChemSpider ID34986711

  • 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 hexanoate [ACD/IUPAC Name]
(3S)-3,7-Dimethyl-1,6-octadien-3-yl-hexanoat [German] [ACD/IUPAC Name]
Hexanoate de (3S)-3,7-diméthyl-1,6-octadién-3-yle [French] [ACD/IUPAC Name]
Hexanoic acid, (1S)-1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester [ACD/Index Name]
231-922-3 [EINECS]
7779-23-9 [RN]
LINALYL HEXANOATE
UNII-70M593F8B8

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

Density: 0.9±0.1 g/cm3
Boiling Point: 301.4±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.2±3.0 kJ/mol
Flash Point: 80.5±17.6 °C
Index of Refraction: 1.457
Molar Refractivity: 77.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13556.21
ACD/KOC (pH 5.5): 31577.12
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 13556.21
ACD/KOC (pH 7.4): 31577.12
Polar Surface Area: 26 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 29.1±3.0 dyne/cm
Molar Volume: 284.7±3.0 cm3

Click to predict properties on the Chemicalize site


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