ChemSpider 2D Image | 1-Phenyl-3-butyn-2-one | C10H8O

1-Phenyl-3-butyn-2-one

  • Molecular FormulaC10H8O
  • Average mass144.170 Da
  • Monoisotopic mass144.057510 Da
  • ChemSpider ID14576104

More details:

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

1-Phenyl-3-butin-2-on [German] [ACD/IUPAC Name]
1-Phenyl-3-butyn-2-one [ACD/IUPAC Name]
1-Phényl-3-butyn-2-one [French] [ACD/IUPAC Name]
3-Butyn-2-one, 1-phenyl- [ACD/Index Name]
1-phenylbut-3-yn-2-one
31739-46-5 [RN]
MFCD21262944
phenylacetylacetylen

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

Density: 1.1±0.1 g/cm3
Boiling Point: 257.9±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.5±3.0 kJ/mol
Flash Point: 95.1±18.5 °C
Index of Refraction: 1.543
Molar Refractivity: 42.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.02
ACD/KOC (pH 5.5): 297.28
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.02
ACD/KOC (pH 7.4): 297.28
Polar Surface Area: 17 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 136.1±3.0 cm3

Click to predict properties on the Chemicalize site


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