ChemSpider 2D Image | 2,4,6-Heptatrienoic acid | C7H8O2

2,4,6-Heptatrienoic acid

  • Molecular FormulaC7H8O2
  • Average mass124.137 Da
  • Monoisotopic mass124.052429 Da
  • ChemSpider ID21865744

More details:

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

(2E,4E)-2,4,6-Heptatrienoic acid [ACD/IUPAC Name]
(2E,4E)-2,4,6-Heptatriensäure [German] [ACD/IUPAC Name]
103582-04-3 [RN]
2,4,6-Heptatrienoic acid
2,4,6-Heptatrienoic acid, (2E,4E)- [ACD/Index Name]
Acide (2E,4E)-2,4,6-heptatriénoïque [French] [ACD/IUPAC Name]
(2E,4E)-hepta-2,4,6-trienoic acid
hepta-2,4,6-trienoic acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 266.3±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.5±6.0 kJ/mol
Flash Point: 173.0±9.6 °C
Index of Refraction: 1.505
Molar Refractivity: 35.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.01
ACD/LogD (pH 7.4): -1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 121.0±3.0 cm3

Click to predict properties on the Chemicalize site


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