ChemSpider 2D Image | 3-(4-Pentylbenzoyl)phenyl acetate | C20H22O3

3-(4-Pentylbenzoyl)phenyl acetate

  • Molecular FormulaC20H22O3
  • Average mass310.387 Da
  • Monoisotopic mass310.156891 Da
  • ChemSpider ID21397624

More details:






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

3-(4-Pentylbenzoyl)phenyl acetate [ACD/IUPAC Name]
3-(4-Pentylbenzoyl)phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 3-(4-pentylbenzoyl)phényle [French] [ACD/IUPAC Name]
Methanone, [3-(acetyloxy)phenyl](4-pentylphenyl)- [ACD/Index Name]
[3-(4-pentylbenzoyl)phenyl] acetate
3-acetoxy-4-pentylbenzophenone
3-Acetoxy-4'-pentylbenzophenone
890099-94-2 [RN]
MFCD07698899 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 451.6±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 197.4±26.8 °C
Index of Refraction: 1.545
Molar Refractivity: 90.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4571.87
ACD/KOC (pH 5.5): 14504.01
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4571.87
ACD/KOC (pH 7.4): 14504.01
Polar Surface Area: 43 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 287.5±3.0 cm3

Click to predict properties on the Chemicalize site






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