ChemSpider 2D Image | (2E,4E)-2,4-Hexadienoate | C6H7O2

(2E,4E)-2,4-Hexadienoate

  • Molecular FormulaC6H7O2
  • Average mass111.119 Da
  • Monoisotopic mass111.045151 Da
  • ChemSpider ID76962300
  • Charge - Charge

    Double-bond stereo - Double-bond stereo


More details:






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

(2E,4E)-2,4-Hexadienoat [German] [ACD/IUPAC Name]
(2E,4E)-2,4-Hexadiénoate [French] [ACD/IUPAC Name]
2,4-Hexadienoic acid, ion(1-), (2E,4E)- [ACD/Index Name]
hexa-2,4-dienoate
sorbate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 233.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 51.7±6.0 kJ/mol
Flash Point: 139.9±9.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.91
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 40 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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