ChemSpider 2D Image | (2E)-(2-~2~H)-2,5-Hexadienal | C6H7DO

(2E)-(2-2H)-2,5-Hexadienal

  • Molecular FormulaC6H7DO
  • Average mass97.133 Da
  • Monoisotopic mass97.063789 Da
  • ChemSpider ID29359133
  • 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)-(2-2H)-2,5-Hexadienal [German] [ACD/IUPAC Name]
(2E)-(2-2H)-2,5-Hexadienal [ACD/IUPAC Name]
(2E)-(2-2H)-2,5-Hexadiénal [French] [ACD/IUPAC Name]
2,5-Hexadienal-2-d, (2E)- [ACD/Index Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 152.4±19.0 °C at 760 mmHg
Vapour Pressure: 3.5±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.9±3.0 kJ/mol
Flash Point: 57.4±13.8 °C
Index of Refraction: 1.438
Molar Refractivity: 29.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.62
ACD/KOC (pH 5.5): 87.34
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.62
ACD/KOC (pH 7.4): 87.34
Polar Surface Area: 17 Å2
Polarizability: 11.8±0.5 10-24cm3
Surface Tension: 25.8±3.0 dyne/cm
Molar Volume: 113.6±3.0 cm3

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