ChemSpider 2D Image | (3S)-3,7-Dimethyl-1,6-octadien-3-yl 2-methylpropanoate | C14H24O2

(3S)-3,7-Dimethyl-1,6-octadien-3-yl 2-methylpropanoate

  • Molecular FormulaC14H24O2
  • Average mass224.339 Da
  • Monoisotopic mass224.177628 Da
  • ChemSpider ID21167337

  • 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 2-methylpropanoate [ACD/IUPAC Name]
(3S)-3,7-Dimethyl-1,6-octadien-3-yl-2-methylpropanoat [German] [ACD/IUPAC Name]
2-Méthylpropanoate de (3S)-3,7-diméthyl-1,6-octadién-3-yle [French] [ACD/IUPAC Name]
304-405-6 [EINECS]
94265-99-3 [RN]
Propanoic acid, 2-methyl-, (1S)-1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester [ACD/Index Name]
Propanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester, (S)-
(S)-1,5-dimethyl-1-vinylhex-4-enyl isobutyrate
201-108-2 [EINECS]
78-35-3 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 261.3±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.9±3.0 kJ/mol
Flash Point: 73.3±17.1 °C
Index of Refraction: 1.454
Molar Refractivity: 68.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1326.53
ACD/KOC (pH 5.5): 5981.92
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1326.53
ACD/KOC (pH 7.4): 5981.92
Polar Surface Area: 26 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 27.8±3.0 dyne/cm
Molar Volume: 252.0±3.0 cm3

Click to predict properties on the Chemicalize site


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