ChemSpider 2D Image | Isopropyl (2E,4E)-2,4-dimethyl-2,4-heptadienoate | C12H20O2

Isopropyl (2E,4E)-2,4-dimethyl-2,4-heptadienoate

  • Molecular FormulaC12H20O2
  • Average mass196.286 Da
  • Monoisotopic mass196.146332 Da
  • ChemSpider ID35517744

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E)-2,4-Diméthyl-2,4-heptadiénoate d'isopropyle [French] [ACD/IUPAC Name]
2,4-Heptadienoic acid, 2,4-dimethyl-, 1-methylethyl ester, (2E,4E)- [ACD/Index Name]
Isopropyl (2E,4E)-2,4-dimethyl-2,4-heptadienoate [ACD/IUPAC Name]
Isopropyl-(2E,4E)-2,4-dimethyl-2,4-heptadienoat [German] [ACD/IUPAC Name]
Isopropyl 2,4-dimethyl-2E,4E-heptadienoate
WE(2:0(1Me)/7:2(2E,4E)(2Me,4Me))

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

Density: 0.9±0.1 g/cm3
Boiling Point: 256.6±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.4±3.0 kJ/mol
Flash Point: 109.4±9.9 °C
Index of Refraction: 1.457
Molar Refractivity: 59.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 396.57
ACD/KOC (pH 5.5): 2520.47
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 396.57
ACD/KOC (pH 7.4): 2520.47
Polar Surface Area: 26 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 27.7±3.0 dyne/cm
Molar Volume: 217.3±3.0 cm3

Click to predict properties on the Chemicalize site


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