ChemSpider 2D Image | Propyl N-[3,5-bis(trifluoromethyl)benzoyl]valylphenylalaninate | C26H28F6N2O4

Propyl N-[3,5-bis(trifluoromethyl)benzoyl]valylphenylalaninate

  • Molecular FormulaC26H28F6N2O4
  • Average mass546.502 Da
  • Monoisotopic mass546.195313 Da
  • ChemSpider ID3864024

More details:

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

N-[3,5-Bis(trifluorométhyl)benzoyl]valylphénylalaninate de propyle [French] [ACD/IUPAC Name]
Phenylalanine, N-[3,5-bis(trifluoromethyl)benzoyl]valyl-, propyl ester [ACD/Index Name]
Propyl N-[3,5-bis(trifluoromethyl)benzoyl]valylphenylalaninate [ACD/IUPAC Name]
PropylN-[3,5-bis(trifluormethyl)benzoyl]valylphenylalaninat [German] [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: 578.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 303.7±30.1 °C
Index of Refraction: 1.493
Molar Refractivity: 125.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.16
ACD/LogD (pH 5.5): 5.88
ACD/BCF (pH 5.5): 17414.71
ACD/KOC (pH 5.5): 37777.63
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 17414.35
ACD/KOC (pH 7.4): 37776.84
Polar Surface Area: 85 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 433.1±3.0 cm3

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