ChemSpider 2D Image | (2-~2~H_1_)-4,5-Hexadienal | C6H7DO

(2-2H1)-4,5-Hexadienal

  • Molecular FormulaC6H7DO
  • Average mass97.133 Da
  • Monoisotopic mass97.063789 Da
  • ChemSpider ID29359134
  • Non-standard isotope - Non-standard isotope


More details:






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

(2-2H1)-4,5-Hexadienal [German] [ACD/IUPAC Name]
(2-2H1)-4,5-Hexadienal [ACD/IUPAC Name]
(2-2H1)-4,5-Hexadiénal [French] [ACD/IUPAC Name]
4,5-Hexadienal-2-d [ACD/Index Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 141.0±10.0 °C at 760 mmHg
Vapour Pressure: 6.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.8±3.0 kJ/mol
Flash Point: 27.7±8.1 °C
Index of Refraction: 1.416
Molar Refractivity: 29.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.88
ACD/KOC (pH 5.5): 123.72
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.88
ACD/KOC (pH 7.4): 123.72
Polar Surface Area: 17 Å2
Polarizability: 11.8±0.5 10-24cm3
Surface Tension: 13.4±3.0 dyne/cm
Molar Volume: 118.6±3.0 cm3

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