ChemSpider 2D Image | Methyl 4-[(2Z)-3-chloro-3-phenyl-2-propenoyl]benzoate | C17H13ClO3

Methyl 4-[(2Z)-3-chloro-3-phenyl-2-propenoyl]benzoate

  • Molecular FormulaC17H13ClO3
  • Average mass300.736 Da
  • Monoisotopic mass300.055328 Da
  • ChemSpider ID30660171

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(2Z)-3-Chloro-3-phényl-2-propenoyl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2Z)-3-chloro-1-oxo-3-phenyl-2-propen-1-yl]-, methyl ester [ACD/Index Name]
Methyl 4-[(2Z)-3-chloro-3-phenyl-2-propenoyl]benzoate [ACD/IUPAC Name]
Methyl-4-[(2Z)-3-chlor-3-phenyl-2-propenoyl]benzoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 440.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 172.5±27.7 °C
Index of Refraction: 1.595
Molar Refractivity: 82.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1028.34
ACD/KOC (pH 5.5): 4985.26
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1028.34
ACD/KOC (pH 7.4): 4985.26
Polar Surface Area: 43 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 242.5±3.0 cm3

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