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

(2E)-3,7-Dimethyl-2,6-octadien-1-yl hexanoate

  • Molecular FormulaC16H28O2
  • Average mass252.392 Da
  • Monoisotopic mass252.208923 Da
  • ChemSpider ID68897060

More details:

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

(2E)-3,7-Dimethyl-2,6-octadien-1-yl hexanoate [ACD/IUPAC Name]
(2E)-3,7-Dimethyl-2,6-octadien-1-yl-hexanoat [German] [ACD/IUPAC Name]
Hexanoate de (2E)-3,7-diméthyl-2,6-octadién-1-yle [French] [ACD/IUPAC Name]
Hexanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 333.3±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.6±3.0 kJ/mol
Flash Point: 101.3±20.4 °C
Index of Refraction: 1.462
Molar Refractivity: 77.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14494.89
ACD/KOC (pH 5.5): 33127.26
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14494.89
ACD/KOC (pH 7.4): 33127.26
Polar Surface Area: 26 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 29.6±3.0 dyne/cm
Molar Volume: 283.0±3.0 cm3

Click to predict properties on the Chemicalize site


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