ChemSpider 2D Image | (2E,4E)-(6,6,6-~2~H_3_)-2,4-Hexadienoic acid | C6H5D3O2

(2E,4E)-(6,6,6-2H3)-2,4-Hexadienoic acid

  • Molecular FormulaC6H5D3O2
  • Average mass115.145 Da
  • Monoisotopic mass115.071259 Da
  • ChemSpider ID58794341

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2E,4E)-(6,6,6-2H3)-2,4-Hexadienoic acid [ACD/IUPAC Name]
(2E,4E)-(6,6,6-2H3)-2,4-Hexadiensäure [German] [ACD/IUPAC Name]
2,4-Hexadienoic-6,6,6-d3 acid, (2E,4E)- [ACD/Index Name]
Acide (2E,4E)-(6,6,6-2H3)-2,4-hexadiénoïque [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
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: 1.488
Molar Refractivity: 31.5±0.3 cm3
#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: 37 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 109.4±3.0 cm3

Click to predict properties on the Chemicalize site


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