ChemSpider 2D Image | 1-Ethyl 2,2-dimethyl 3-(1,3-benzodioxol-5-yl)-1,2,2-propanetricarboxylate | C17H20O8

1-Ethyl 2,2-dimethyl 3-(1,3-benzodioxol-5-yl)-1,2,2-propanetricarboxylate

  • Molecular FormulaC17H20O8
  • Average mass352.336 Da
  • Monoisotopic mass352.115814 Da
  • ChemSpider ID24726270

More details:

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

1,2,2-Propanetricarboxylic acid, 3-(1,3-benzodioxol-5-yl)-, 1-ethyl 2,2-dimethyl ester [ACD/Index Name]
1-Ethyl 2,2-dimethyl 3-(1,3-benzodioxol-5-yl)-1,2,2-propanetricarboxylate [ACD/IUPAC Name]
1-Ethyl-2,2-dimethyl-3-(1,3-benzodioxol-5-yl)-1,2,2-propantricarboxylat [German] [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-1,2,2-propanetricarboxylate de 1-éthyle et de 2,2-diméthyle [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: 464.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 203.7±28.8 °C
Index of Refraction: 1.523
Molar Refractivity: 84.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 46.19
ACD/KOC (pH 5.5): 540.92
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 46.19
ACD/KOC (pH 7.4): 540.92
Polar Surface Area: 97 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 276.0±3.0 cm3

Click to predict properties on the Chemicalize site


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