ChemSpider 2D Image | (2E)-(~2~H_6_)-2-Butenal | C4D6O

(2E)-(2H6)-2-Butenal

  • Molecular FormulaC4D6O
  • Average mass76.127 Da
  • Monoisotopic mass76.079529 Da
  • ChemSpider ID45852900

  • 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)-(2H6)-2-Butenal [German] [ACD/IUPAC Name]
(2E)-(2H6)-2-Butenal [ACD/IUPAC Name]
(2E)-(2H6)-2-Buténal [French] [ACD/IUPAC Name]
2-Butenal-1,2,3,4,4,4-d6, (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: 104.0±0.0 °C at 760 mmHg
Vapour Pressure: 31.4±0.1 mmHg at 25°C
Enthalpy of Vaporization: 34.3±3.0 kJ/mol
Flash Point: 4.6±4.3 °C
Index of Refraction: 1.402
Molar Refractivity: 20.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.51
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.41
ACD/KOC (pH 5.5): 44.43
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.41
ACD/KOC (pH 7.4): 44.43
Polar Surface Area: 17 Å2
Polarizability: 8.3±0.5 10-24cm3
Surface Tension: 23.1±3.0 dyne/cm
Molar Volume: 85.5±3.0 cm3

Click to predict properties on the Chemicalize site


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