ChemSpider 2D Image | 4-[(3,5-Diethynylphenyl)ethynyl]-1,2-oxazole | C15H7NO

4-[(3,5-Diethynylphenyl)ethynyl]-1,2-oxazole

  • Molecular FormulaC15H7NO
  • Average mass217.222 Da
  • Monoisotopic mass217.052765 Da
  • ChemSpider ID91404645

More details:

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

4-[(3,5-Diethinylphenyl)ethinyl]-1,2-oxazol [German] [ACD/IUPAC Name]
4-[(3,5-Diethynylphenyl)ethynyl]-1,2-oxazole [ACD/IUPAC Name]
4-[(3,5-Diéthynylphényl)éthynyl]-1,2-oxazole [French] [ACD/IUPAC Name]
Isoxazole, 4-[2-(3,5-diethynylphenyl)ethynyl]- [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: 424.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.2±3.0 kJ/mol
Flash Point: 186.7±16.4 °C
Index of Refraction: 1.636
Molar Refractivity: 63.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 147.93
ACD/KOC (pH 5.5): 1244.31
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 147.93
ACD/KOC (pH 7.4): 1244.31
Polar Surface Area: 26 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 176.1±5.0 cm3

Click to predict properties on the Chemicalize site


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