ChemSpider 2D Image | (3Z)-(5,5,6,6,6-~2~H_5_)-3-Hexenal | C6H5D5O

(3Z)-(5,5,6,6,6-2H5)-3-Hexenal

  • Molecular FormulaC6H5D5O
  • Average mass103.174 Da
  • Monoisotopic mass103.104546 Da
  • ChemSpider ID58793914
  • 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

(3Z)-(5,5,6,6,6-2H5)-3-Hexenal [German] [ACD/IUPAC Name]
(3Z)-(5,5,6,6,6-2H5)-3-Hexenal [ACD/IUPAC Name]
(3Z)-(5,5,6,6,6-2H5)-3-Hexénal [French] [ACD/IUPAC Name]
3-Hexenal-5,5,6,6,6-d5, (3Z)- [ACD/Index Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 127.3±9.0 °C at 760 mmHg
Vapour Pressure: 11.2±0.2 mmHg at 25°C
Enthalpy of Vaporization: 36.5±3.0 kJ/mol
Flash Point: 18.0±7.8 °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: 1.73
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.65
ACD/KOC (pH 5.5): 149.28
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.65
ACD/KOC (pH 7.4): 149.28
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






Advertisement