ChemSpider 2D Image | 6-Phenyl-3,5-hexadiyn-2-one | C12H8O

6-Phenyl-3,5-hexadiyn-2-one

  • Molecular FormulaC12H8O
  • Average mass168.191 Da
  • Monoisotopic mass168.057510 Da
  • ChemSpider ID21413007

More details:

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

3,5-Hexadiyn-2-one, 6-phenyl- [ACD/Index Name]
6-Phenyl-3,5-hexadiin-2-on [German] [ACD/IUPAC Name]
6-Phenyl-3,5-hexadiyn-2-one [ACD/IUPAC Name]
6-Phényl-3,5-hexadiyn-2-one [French] [ACD/IUPAC Name]
1595-73-9 [RN]
MFCD19301274

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

Density: 1.1±0.1 g/cm3
Boiling Point: 279.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.8±3.0 kJ/mol
Flash Point: 114.3±17.8 °C
Index of Refraction: 1.579
Molar Refractivity: 50.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 370.48
ACD/KOC (pH 5.5): 2400.65
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 370.48
ACD/KOC (pH 7.4): 2400.65
Polar Surface Area: 17 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 152.4±5.0 cm3

Click to predict properties on the Chemicalize site


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