ChemSpider 2D Image | (4Z)-4-[2-(Heptyloxy)benzylidene]-3-phenyl-1,2-oxazol-5(4H)-one | C23H25NO3

(4Z)-4-[2-(Heptyloxy)benzylidene]-3-phenyl-1,2-oxazol-5(4H)-one

  • Molecular FormulaC23H25NO3
  • Average mass363.449 Da
  • Monoisotopic mass363.183441 Da
  • ChemSpider ID23075064

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-4-[2-(Heptyloxy)benzyliden]-3-phenyl-1,2-oxazol-5(4H)-on [German] [ACD/IUPAC Name]
(4Z)-4-[2-(Heptyloxy)benzylidene]-3-phenyl-1,2-oxazol-5(4H)-one [ACD/IUPAC Name]
(4Z)-4-[2-(Heptyloxy)benzylidène]-3-phényl-1,2-oxazol-5(4H)-one [French] [ACD/IUPAC Name]
5(4H)-Isoxazolone, 4-[[2-(heptyloxy)phenyl]methylene]-3-phenyl-, (4Z)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 491.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 181.6±25.9 °C
Index of Refraction: 1.562
Molar Refractivity: 107.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 7.35
ACD/BCF (pH 5.5): 225863.27
ACD/KOC (pH 5.5): 236514.61
ACD/LogD (pH 7.4): 7.35
ACD/BCF (pH 7.4): 225863.27
ACD/KOC (pH 7.4): 236514.61
Polar Surface Area: 48 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 40.2±7.0 dyne/cm
Molar Volume: 331.3±7.0 cm3

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