ChemSpider 2D Image | 4,4'-(3E)-(2,2,5,5-~2~H_4_)-3-Hexene-3,4-diyldi(3,5-~2~H_2_)phenol | C18H12D8O2

4,4'-(3E)-(2,2,5,5-2H4)-3-Hexene-3,4-diyldi(3,5-2H2)phenol

  • Molecular FormulaC18H12D8O2
  • Average mass276.400 Da
  • Monoisotopic mass276.196533 Da
  • ChemSpider ID49071271

  • 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

4,4'-(3E)-(2,2,5,5-2H4)-3-Hexen-3,4-diyldi(3,5-2H2)phenol [German] [ACD/IUPAC Name]
4,4'-(3E)-(2,2,5,5-2H4)-3-Hexene-3,4-diyldi(3,5-2H2)phenol [ACD/IUPAC Name]
4,4'-(3E)-(2,2,5,5-2H4)-3-Hexène-3,4-diyldi(3,5-2H2)phénol [French] [ACD/IUPAC Name]
Phenol-3,5-d2, 4,4'-[(E)-1,2-di(ethyl-1,1-d2)-1,2-ethenediyl]bis- [ACD/Index Name]
Diethyl-1,1,1',1'-d4-stilbestrol-3,3',5,5'-d4 (mixture of E- and Z- forms)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 407.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 186.9±17.8 °C
Index of Refraction: 1.603
Molar Refractivity: 83.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2576.58
ACD/KOC (pH 5.5): 9620.96
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2572.41
ACD/KOC (pH 7.4): 9605.39
Polar Surface Area: 40 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 242.2±3.0 cm3

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