ChemSpider 2D Image | 2,4,6-Triisopropylbenzyl 2-fluoro-2-methyl-3-oxobutanoate | C21H31FO3

2,4,6-Triisopropylbenzyl 2-fluoro-2-methyl-3-oxobutanoate

  • Molecular FormulaC21H31FO3
  • Average mass350.467 Da
  • Monoisotopic mass350.225708 Da
  • ChemSpider ID26603033

More details:

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

2,4,6-Triisopropylbenzyl 2-fluoro-2-methyl-3-oxobutanoate [ACD/IUPAC Name]
2,4,6-Triisopropylbenzyl-2-fluor-2-methyl-3-oxobutanoat [German] [ACD/IUPAC Name]
2-Fluoro-2-méthyl-3-oxobutanoate de 2,4,6-triisopropylbenzyle [French] [ACD/IUPAC Name]
Butanoic acid, 2-fluoro-2-methyl-3-oxo-, [2,4,6-tris(1-methylethyl)phenyl]methyl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 390.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.9±3.0 kJ/mol
Flash Point: 183.2±21.4 °C
Index of Refraction: 1.485
Molar Refractivity: 98.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 5.56
ACD/BCF (pH 5.5): 9938.26
ACD/KOC (pH 5.5): 25285.09
ACD/LogD (pH 7.4): 5.56
ACD/BCF (pH 7.4): 9938.26
ACD/KOC (pH 7.4): 25285.09
Polar Surface Area: 43 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 344.6±3.0 cm3

Click to predict properties on the Chemicalize site


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