ChemSpider 2D Image | 2-(4-Heptylbenzoyl)phenyl acetate | C22H26O3

2-(4-Heptylbenzoyl)phenyl acetate

  • Molecular FormulaC22H26O3
  • Average mass338.440 Da
  • Monoisotopic mass338.188202 Da
  • ChemSpider ID21397558

More details:

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

2-(4-Heptylbenzoyl)phenyl acetate [ACD/IUPAC Name]
2-(4-Heptylbenzoyl)phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 2-(4-heptylbenzoyl)phényle [French] [ACD/IUPAC Name]
Methanone, [2-(acetyloxy)phenyl](4-heptylphenyl)- [ACD/Index Name]
[2-(4-heptylbenzoyl)phenyl] acetate
2-acetoxy-4-heptylbenzophenone
2-Acetoxy-4'-heptylbenzophenone
890098-50-7 [RN]
MFCD07698832 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 484.9±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 210.5±26.8 °C
Index of Refraction: 1.537
Molar Refractivity: 100.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 6.81
ACD/BCF (pH 5.5): 87792.54
ACD/KOC (pH 5.5): 120255.99
ACD/LogD (pH 7.4): 6.81
ACD/BCF (pH 7.4): 87792.54
ACD/KOC (pH 7.4): 120255.99
Polar Surface Area: 43 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 320.5±3.0 cm3

Click to predict properties on the Chemicalize site


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