ChemSpider 2D Image | 3'-Acetoxy-4-chlorobutyrophenone | C12H13ClO3

3'-Acetoxy-4-chlorobutyrophenone

  • Molecular FormulaC12H13ClO3
  • Average mass240.683 Da
  • Monoisotopic mass240.055328 Da
  • ChemSpider ID21401543

More details:

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

1-[3-(Acetyloxy)phenyl]-4-chloro-1-butanone
1-Butanone, 1-[3-(acetyloxy)phenyl]-4-chloro- [ACD/Index Name]
3-(4-Chlorbutanoyl)phenyl-acetat [German] [ACD/IUPAC Name]
3-(4-Chlorobutanoyl)phenyl acetate [ACD/IUPAC Name]
3'-Acetoxy-4-chlorobutyrophenone
898786-89-5 [RN]
Acétate de 3-(4-chlorobutanoyl)phényle [French] [ACD/IUPAC Name]
[3-(4-chlorobutanoyl)phenyl] acetate
3-acetoxy-4-chlorobutyrophenone
MFCD07700123 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 378.3±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.6±3.0 kJ/mol
Flash Point: 157.6±22.7 °C
Index of Refraction: 1.520
Molar Refractivity: 61.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 55.03
ACD/KOC (pH 5.5): 613.13
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 55.03
ACD/KOC (pH 7.4): 613.13
Polar Surface Area: 43 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 203.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement