ChemSpider 2D Image | (2R)-2-Methylbutyl 4-[(4-decylbenzoyl)oxy]-2-fluorobenzoate | C29H39FO4

(2R)-2-Methylbutyl 4-[(4-decylbenzoyl)oxy]-2-fluorobenzoate

  • Molecular FormulaC29H39FO4
  • Average mass470.616 Da
  • Monoisotopic mass470.283234 Da
  • ChemSpider ID35517806

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Methylbutyl 4-[(4-decylbenzoyl)oxy]-2-fluorobenzoate [ACD/IUPAC Name]
(2R)-2-Methylbutyl-4-[(4-decylbenzoyl)oxy]-2-fluorbenzoat [German] [ACD/IUPAC Name]
4-[(4-Décylbenzoyl)oxy]-2-fluorobenzoate de (2R)-2-méthylbutyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(4-decylbenzoyl)oxy]-2-fluoro-, (2R)-2-methylbutyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 564.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 284.2±25.0 °C
Index of Refraction: 1.516
Molar Refractivity: 134.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 11.17
ACD/LogD (pH 5.5): 10.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.34
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 446.2±3.0 cm3

Click to predict properties on the Chemicalize site


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