ChemSpider 2D Image | 4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl 2-fluoro-2-methyl-3-oxopentanoate | C21H31FO3

4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl 2-fluoro-2-methyl-3-oxopentanoate

  • Molecular FormulaC21H31FO3
  • Average mass350.467 Da
  • Monoisotopic mass350.225708 Da
  • ChemSpider ID26603037

More details:

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

2-Fluoro-2-méthyl-3-oxopentanoate de 4-méthyl-2,6-bis(2-méthyl-2-propanyl)phényle [French] [ACD/IUPAC Name]
4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl 2-fluoro-2-methyl-3-oxopentanoate [ACD/IUPAC Name]
4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl-2-fluor-2-methyl-3-oxopentanoat [German] [ACD/IUPAC Name]
Pentanoic acid, 2-fluoro-2-methyl-3-oxo-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl 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: 404.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 191.7±23.6 °C
Index of Refraction: 1.479
Molar Refractivity: 97.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 12860.51
ACD/KOC (pH 5.5): 30408.54
ACD/LogD (pH 7.4): 5.71
ACD/BCF (pH 7.4): 12860.51
ACD/KOC (pH 7.4): 30408.54
Polar Surface Area: 43 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 30.5±3.0 dyne/cm
Molar Volume: 345.4±3.0 cm3

Click to predict properties on the Chemicalize site


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