ChemSpider 2D Image | (3Z)-1-(1-Cyclopenten-1-yl)-2-(2,4-dichlorophenyl)-2-ethyl-3-hydroxy-3-hexen-1-yl hydrogen carbonate | C20H24Cl2O4

(3Z)-1-(1-Cyclopenten-1-yl)-2-(2,4-dichlorophenyl)-2-ethyl-3-hydroxy-3-hexen-1-yl hydrogen carbonate

  • Molecular FormulaC20H24Cl2O4
  • Average mass399.308 Da
  • Monoisotopic mass398.105164 Da
  • ChemSpider ID95686622

More details:






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

(3Z)-1-(1-Cyclopenten-1-yl)-2-(2,4-dichlorophenyl)-2-ethyl-3-hydroxy-3-hexen-1-yl hydrogen carbonate [ACD/IUPAC Name]
(3Z)-1-(1-Cyclopenten-1-yl)-2-(2,4-dichlorphenyl)-2-ethyl-3-hydroxy-3-hexen-1-ylhydrogencarbonat [German] [ACD/IUPAC Name]
3-Hexene-1,3-diol, 1-(1-cyclopenten-1-yl)-2-(2,4-dichlorophenyl)-2-ethyl-, 1-(hydrogen carbonate), (3Z)- [ACD/Index Name]
Hydrogénocarbonate de (3Z)-1-(1-cyclopentén-1-yl)-2-(2,4-dichlorophényl)-2-éthyl-3-hydroxy-3-hexén-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 557.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 290.8±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 102.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.40
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 771.48
ACD/KOC (pH 5.5): 1324.28
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 16.86
ACD/KOC (pH 7.4): 28.93
Polar Surface Area: 67 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 308.5±3.0 cm3

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