ChemSpider 2D Image | 4-(3-Chloro-3-buten-1-yl)phenyl acetate | C12H13ClO2

4-(3-Chloro-3-buten-1-yl)phenyl acetate

  • Molecular FormulaC12H13ClO2
  • Average mass224.683 Da
  • Monoisotopic mass224.060410 Da
  • ChemSpider ID21396324

More details:

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

4-(3-Chlor-3-buten-1-yl)phenyl-acetat [German] [ACD/IUPAC Name]
4-(3-Chloro-3-buten-1-yl)phenyl acetate [ACD/IUPAC Name]
Acétate de 4-(3-chloro-3-butén-1-yl)phényle [French] [ACD/IUPAC Name]
Phenol, 4-(3-chloro-3-buten-1-yl)-, acetate [ACD/Index Name]
[4-(3-chlorobut-3-enyl)phenyl] acetate
4-(3-Chlorobut-3-en-1-yl)phenyl acetate
4-(4-Acetoxyphenyl)-2-chloro-1-butene
890097-86-6 [RN]
MFCD07782979 [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: 309.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.1±3.0 kJ/mol
Flash Point: 149.9±20.0 °C
Index of Refraction: 1.523
Molar Refractivity: 60.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 174.05
ACD/KOC (pH 5.5): 1397.92
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 174.05
ACD/KOC (pH 7.4): 1397.92
Polar Surface Area: 26 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 199.2±3.0 cm3

Click to predict properties on the Chemicalize site


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