ChemSpider 2D Image | Ethyl (3,3,4,4,5,5-~2~H_6_)cyclohexylideneacetate | C10H10D6O2

Ethyl (3,3,4,4,5,5-2H6)cyclohexylideneacetate

  • Molecular FormulaC10H10D6O2
  • Average mass174.270 Da
  • Monoisotopic mass174.152695 Da
  • ChemSpider ID58778463

  • Non-standard isotope - Non-standard isotope

More details:

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

(3,3,4,4,5,5-2H6)Cyclohexylidèneacétate d'éthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-(cyclohexylidene-3,3,4,4,5,5-d6)-, ethyl ester [ACD/Index Name]
Ethyl (3,3,4,4,5,5-2H6)cyclohexylideneacetate [ACD/IUPAC Name]
Ethyl-(3,3,4,4,5,5-2H6)cyclohexylidenacetat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 235.9±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.3±3.0 kJ/mol
Flash Point: 112.9±9.9 °C
Index of Refraction: 1.532
Molar Refractivity: 49.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 165.84
ACD/KOC (pH 5.5): 1350.39
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 165.84
ACD/KOC (pH 7.4): 1350.39
Polar Surface Area: 26 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 160.2±3.0 cm3

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