ChemSpider 2D Image | (1Z)-1-(4-Methylphenyl)-4-phenyl-1-buten-3-yn-1-yl 4-methylbenzoate | C25H20O2

(1Z)-1-(4-Methylphenyl)-4-phenyl-1-buten-3-yn-1-yl 4-methylbenzoate

  • Molecular FormulaC25H20O2
  • Average mass352.425 Da
  • Monoisotopic mass352.146332 Da
  • ChemSpider ID21183698

  • Double-bond stereo - Double-bond stereo

More details:

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

(1Z)-1-(4-Methylphenyl)-4-phenyl-1-buten-3-in-1-yl-4-methylbenzoat [German] [ACD/IUPAC Name]
(1Z)-1-(4-Methylphenyl)-4-phenyl-1-buten-3-yn-1-yl 4-methylbenzoate [ACD/IUPAC Name]
4-Méthylbenzoate de (1Z)-1-(4-méthylphényl)-4-phényl-1-butén-3-yn-1-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-methyl-, (1Z)-1-(4-methylphenyl)-4-phenyl-1-buten-3-yn-1-yl ester [ACD/Index 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: 508.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 215.0±27.5 °C
Index of Refraction: 1.633
Molar Refractivity: 108.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.49
ACD/LogD (pH 5.5): 6.86
ACD/BCF (pH 5.5): 95717.82
ACD/KOC (pH 5.5): 127930.51
ACD/LogD (pH 7.4): 6.86
ACD/BCF (pH 7.4): 95717.82
ACD/KOC (pH 7.4): 127930.51
Polar Surface Area: 26 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 302.6±5.0 cm3

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