ChemSpider 2D Image | 4,4'-(3,5-Dichloro-4,4-dimethoxy-2,5-cyclopentadiene-1,2-diyl)bis(2-methyl-3-butyn-2-ol) | C17H20Cl2O4

4,4'-(3,5-Dichloro-4,4-dimethoxy-2,5-cyclopentadiene-1,2-diyl)bis(2-methyl-3-butyn-2-ol)

  • Molecular FormulaC17H20Cl2O4
  • Average mass359.244 Da
  • Monoisotopic mass358.073853 Da
  • ChemSpider ID82970821

More details:

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

3-Butyn-2-ol, 4,4'-(3,5-dichloro-4,4-dimethoxy-2,5-cyclopentadiene-1,2-diyl)bis[2-methyl- [ACD/Index Name]
4,4'-(3,5-Dichlor-4,4-dimethoxy-2,5-cyclopentadien-1,2-diyl)bis(2-methyl-3-butin-2-ol) [German] [ACD/IUPAC Name]
4,4'-(3,5-Dichloro-4,4-dimethoxy-2,5-cyclopentadiene-1,2-diyl)bis(2-methyl-3-butyn-2-ol) [ACD/IUPAC Name]
4,4'-(3,5-Dichloro-4,4-diméthoxy-2,5-cyclopentadiène-1,2-diyl)bis(2-méthyl-3-butyn-2-ol) [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: 374.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.9±6.0 kJ/mol
Flash Point: 180.2±27.9 °C
Index of Refraction: 1.571
Molar Refractivity: 89.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.15
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 21030.65
ACD/KOC (pH 5.5): 43239.86
ACD/LogD (pH 7.4): 5.99
ACD/BCF (pH 7.4): 21030.53
ACD/KOC (pH 7.4): 43239.63
Polar Surface Area: 59 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 273.7±5.0 cm3

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