ChemSpider 2D Image | MFCD02728052 | C40H28O2

MFCD02728052

  • Molecular FormulaC40H28O2
  • Average mass540.649 Da
  • Monoisotopic mass540.208923 Da
  • ChemSpider ID4783299

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-3-(4-Methylbenzyliden)-4,5,6,7-tetraphenyl-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
(3Z)-3-(4-Methylbenzylidene)-4,5,6,7-tetraphenyl-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
(3Z)-3-(4-Méthylbenzylidène)-4,5,6,7-tétraphényl-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]-4,5,6,7-tetraphenyl-, (3Z)- [ACD/Index Name]
52986-58-0 [RN]
MFCD02728052
(3Z)-3-[(4-methylphenyl)methylidene]-4,5,6,7-tetraphenyl-1,3-dihydro-2-benzofuran-1-one
3-(4-METHYL-BENZYLIDENE)-4,5,6,7-TETRAPHENYL-3H-ISOBENZOFURAN-1-ONE
3-(4-Methylbenzylidene)-4,5,6,7-tetraphenylisobenzofuran-1(3H)-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 664.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 277.0±28.9 °C
Index of Refraction: 1.674
Molar Refractivity: 169.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 10.86
ACD/LogD (pH 5.5): 9.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4454866.50
ACD/LogD (pH 7.4): 9.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4454866.50
Polar Surface Area: 26 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 451.3±3.0 cm3

Click to predict properties on the Chemicalize site


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