ChemSpider 2D Image | (7,7-Dimethyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)methyl 6-chloro-2,5-dimethyl-3,4-dihydro-2H-pyran-2-carboxylate | C18H23ClO5

(7,7-Dimethyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)methyl 6-chloro-2,5-dimethyl-3,4-dihydro-2H-pyran-2-carboxylate

  • Molecular FormulaC18H23ClO5
  • Average mass354.825 Da
  • Monoisotopic mass354.123413 Da
  • ChemSpider ID26669200

More details:






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

(7,7-Dimethyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)methyl 6-chloro-2,5-dimethyl-3,4-dihydro-2H-pyran-2-carboxylate [ACD/IUPAC Name]
(7,7-Dimethyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)methyl-6-chlor-2,5-dimethyl-3,4-dihydro-2H-pyran-2-carboxylat [German] [ACD/IUPAC Name]
2H-Pyran-2-carboxylic acid, 6-chloro-3,4-dihydro-2,5-dimethyl-, (7,7-dimethyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)methyl ester [ACD/Index Name]
6-Chloro-2,5-diméthyl-3,4-dihydro-2H-pyrane-2-carboxylate de (7,7-diméthyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)méthyle [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: 448.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 161.1±27.7 °C
Index of Refraction: 1.541
Molar Refractivity: 87.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 88.87
ACD/KOC (pH 5.5): 864.01
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 88.87
ACD/KOC (pH 7.4): 864.01
Polar Surface Area: 70 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 278.0±5.0 cm3

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