ChemSpider 2D Image | Isopropyl (2E,4E)-2,4-hexadienoate | C9H14O2

Isopropyl (2E,4E)-2,4-hexadienoate

  • Molecular FormulaC9H14O2
  • Average mass154.206 Da
  • Monoisotopic mass154.099380 Da
  • ChemSpider ID62972811

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E)-2,4-Hexadiénoate d'isopropyle [French] [ACD/IUPAC Name]
2,4-Hexadienoic acid, 1-methylethyl ester, (2E,4E)- [ACD/Index Name]
Isopropyl (2E,4E)-2,4-hexadienoate [ACD/IUPAC Name]
Isopropyl-(2E,4E)-2,4-hexadienoat [German] [ACD/IUPAC Name]
44987-75-9 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 200.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.6±3.0 kJ/mol
Flash Point: 79.6±9.9 °C
Index of Refraction: 1.455
Molar Refractivity: 45.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 72.47
ACD/KOC (pH 5.5): 746.68
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 72.47
ACD/KOC (pH 7.4): 746.68
Polar Surface Area: 26 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 28.0±3.0 dyne/cm
Molar Volume: 168.2±3.0 cm3

Click to predict properties on the Chemicalize site


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