ChemSpider 2D Image | (2Z)-2-[4-(2-Methyl-2-propanyl)benzylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl (2E)-3-(4-chlorophenyl)acrylate | C28H23ClO4

(2Z)-2-[4-(2-Methyl-2-propanyl)benzylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl (2E)-3-(4-chlorophenyl)acrylate

  • Molecular FormulaC28H23ClO4
  • Average mass458.933 Da
  • Monoisotopic mass458.128479 Da
  • ChemSpider ID124428455

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-Chlorophényl)acrylate de (2Z)-2-[4-(2-méthyl-2-propanyl)benzylidène]-3-oxo-2,3-dihydro-1-benzofuran-6-yle [French] [ACD/IUPAC Name]
(2Z)-2-[4-(2-Methyl-2-propanyl)benzyliden]-3-oxo-2,3-dihydro-1-benzofuran-6-yl-(2E)-3-(4-chlorphenyl)acrylat [German] [ACD/IUPAC Name]
(2Z)-2-[4-(2-Methyl-2-propanyl)benzylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl (2E)-3-(4-chlorophenyl)acrylate [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-chlorophenyl)-, (2Z)-2-[[4-(1,1-dimethylethyl)phenyl]methylene]-2,3-dihydro-3-oxo-6-benzofuranyl ester, (2E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 627.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 211.8±30.5 °C
Index of Refraction: 1.654
Molar Refractivity: 131.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.60
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 41958.36
ACD/KOC (pH 5.5): 70891.87
ACD/LogD (pH 7.4): 6.39
ACD/BCF (pH 7.4): 41958.36
ACD/KOC (pH 7.4): 70891.87
Polar Surface Area: 53 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 359.0±3.0 cm3

Click to predict properties on the Chemicalize site


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