ChemSpider 2D Image | 3-(4-Heptylbenzoyl)phenyl acetate | C22H26O3

3-(4-Heptylbenzoyl)phenyl acetate

  • Molecular FormulaC22H26O3
  • Average mass338.440 Da
  • Monoisotopic mass338.188202 Da
  • ChemSpider ID21397626

More details:

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

3-(4-Heptylbenzoyl)phenyl acetate [ACD/IUPAC Name]
3-(4-Heptylbenzoyl)phenyl-acetat [German] [ACD/IUPAC Name]
890099-98-6 [RN]
Acétate de 3-(4-heptylbenzoyl)phényle [French] [ACD/IUPAC Name]
Methanone, [3-(acetyloxy)phenyl](4-heptylphenyl)- [ACD/Index Name]
3-acetoxy-4-heptylbenzophenone
3-Acetoxy-4'-heptylbenzophenone
MFCD07698901 [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: 475.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 206.2±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: 6.41
ACD/LogD (pH 5.5): 6.95
ACD/BCF (pH 5.5): 113341.88
ACD/KOC (pH 5.5): 144381.34
ACD/LogD (pH 7.4): 6.95
ACD/BCF (pH 7.4): 113341.88
ACD/KOC (pH 7.4): 144381.34
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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