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ChemSpider 2D Image | 3-[4-(Heptyloxy)benzoyl]phenyl acetate | C22H26O4

3-[4-(Heptyloxy)benzoyl]phenyl acetate

  • Molecular FormulaC22H26O4
  • Average mass354.439 Da
  • Monoisotopic mass354.183105 Da
  • ChemSpider ID21397632

More details:

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

3-[4-(Heptyloxy)benzoyl]phenyl acetate [ACD/IUPAC Name]
3-[4-(Heptyloxy)benzoyl]phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 3-[4-(heptyloxy)benzoyl]phényle [French] [ACD/IUPAC Name]
Methanone, [3-(acetyloxy)phenyl][4-(heptyloxy)phenyl]- [ACD/Index Name]
[3-(4-heptoxybenzoyl)phenyl] acetate
3-acetoxy-4-heptyloxybenzophenone
3-Acetoxy-4'-heptyloxybenzophenone
890100-10-4 [RN]
MFCD07698907 [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: 496.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 215.3±24.6 °C
Index of Refraction: 1.533
Molar Refractivity: 101.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 6.24
ACD/BCF (pH 5.5): 32852.70
ACD/KOC (pH 5.5): 59503.93
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 32852.70
ACD/KOC (pH 7.4): 59503.93
Polar Surface Area: 53 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 328.2±3.0 cm3

Click to predict properties on the Chemicalize site


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