ChemSpider 2D Image | (2E)-2,6-Dimethyl-2,5-heptadienoic acid | C9H14O2

(2E)-2,6-Dimethyl-2,5-heptadienoic acid

  • Molecular FormulaC9H14O2
  • Average mass154.206 Da
  • Monoisotopic mass154.099380 Da
  • ChemSpider ID30777075

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2,6-Dimethyl-2,5-heptadienoic acid [ACD/IUPAC Name]
(2E)-2,6-Dimethyl-2,5-heptadiensäure [German] [ACD/IUPAC Name]
2,5-Heptadienoic acid, 2,6-dimethyl-, (2E)- [ACD/Index Name]
261949-42-2 [RN]
Acide (2E)-2,6-diméthyl-2,5-heptadiénoïque [French] [ACD/IUPAC Name]
(2E)-2,6-dimethylhepta-2,5-dienoic acid
(E)-2,6-Dimethyl-2,5-heptadienoic acid

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 269.4±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 55.9±6.0 kJ/mol
Flash Point: 176.1±12.4 °C
Index of Refraction: 1.481
Molar Refractivity: 45.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 13.52
ACD/KOC (pH 5.5): 145.44
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.45
Polar Surface Area: 37 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 32.6±3.0 dyne/cm
Molar Volume: 158.6±3.0 cm3

Click to predict properties on the Chemicalize site


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