ChemSpider 2D Image | 3-(2,4-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-bis[(~2~H_3_)methyl]butanoate | C21H18D6Cl2O4

3-(2,4-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-bis[(2H3)methyl]butanoate

  • Molecular FormulaC21H18D6Cl2O4
  • Average mass417.356 Da
  • Monoisotopic mass416.142822 Da
  • ChemSpider ID107436936

  • Non-standard isotope - Non-standard isotope

More details:

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

2,2-Bis[(2H3)méthyl]butanoate de 3-(2,4-dichlorophényl)-2-oxo-1-oxaspiro[4.5]déc-3-én-4-yle [French] [ACD/IUPAC Name]
3-(2,4-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-bis[(2H3)methyl]butanoate [ACD/IUPAC Name]
3-(2,4-Dichlorphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl-2,2-bis[(2H3)methyl]butanoat [German] [ACD/IUPAC Name]
Butanoic acid, 2,2-di(methyl-d3)-, 3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl ester [ACD/Index 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: 550.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 194.6±29.1 °C
Index of Refraction: 1.571
Molar Refractivity: 105.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 15840.80
ACD/KOC (pH 5.5): 35301.05
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 15840.80
ACD/KOC (pH 7.4): 35301.05
Polar Surface Area: 53 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 319.6±5.0 cm3

Click to predict properties on the Chemicalize site


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