ChemSpider 2D Image | (2E)-(5,5,6,6-~2~H_4_)-2-Hexenal | C6H6D4O

(2E)-(5,5,6,6-2H4)-2-Hexenal

  • Molecular FormulaC6H6D4O
  • Average mass102.168 Da
  • Monoisotopic mass102.098274 Da
  • ChemSpider ID58793751

  • 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)-(5,5,6,6-2H4)-2-Hexenal [German] [ACD/IUPAC Name]
(2E)-(5,5,6,6-2H4)-2-Hexenal [ACD/IUPAC Name]
(2E)-(5,5,6,6-2H4)-2-Hexénal [French] [ACD/IUPAC Name]
2-Hexenal-5,5,6,6-d4, (2E)- [ACD/Index Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 146.5±0.0 °C at 760 mmHg
Vapour Pressure: 4.6±0.2 mmHg at 25°C
Enthalpy of Vaporization: 38.4±3.0 kJ/mol
Flash Point: 38.3±0.0 °C
Index of Refraction: 1.422
Molar Refractivity: 30.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.59
ACD/KOC (pH 5.5): 103.52
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.59
ACD/KOC (pH 7.4): 103.52
Polar Surface Area: 17 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 25.7±3.0 dyne/cm
Molar Volume: 118.5±3.0 cm3

Click to predict properties on the Chemicalize site


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