ChemSpider 2D Image | (2E)-2-Methyl-4-{[(2E)-3-phenyl-2-propenoyl]oxy}-2-buten-1-yl benzoate | C21H20O4

(2E)-2-Methyl-4-{[(2E)-3-phenyl-2-propenoyl]oxy}-2-buten-1-yl benzoate

  • Molecular FormulaC21H20O4
  • Average mass336.381 Da
  • Monoisotopic mass336.136169 Da
  • ChemSpider ID28521033

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-Methyl-4-{[(2E)-3-phenyl-2-propenoyl]oxy}-2-buten-1-yl benzoate [ACD/IUPAC Name]
(2E)-2-Methyl-4-{[(2E)-3-phenyl-2-propenoyl]oxy}-2-buten-1-yl-benzoat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-phenyl-, (2E)-4-(benzoyloxy)-3-methyl-2-buten-1-yl ester, (2E)- [ACD/Index Name]
Benzoate de (2E)-2-méthyl-4-{[(2E)-3-phényl-2-propenoyl]oxy}-2-butén-1-yle [French] [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: 487.7±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 244.8±23.8 °C
Index of Refraction: 1.588
Molar Refractivity: 98.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2510.65
ACD/KOC (pH 5.5): 9444.14
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2510.65
ACD/KOC (pH 7.4): 9444.14
Polar Surface Area: 53 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 292.1±3.0 cm3

Click to predict properties on the Chemicalize site


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