ChemSpider 2D Image | 2-Phenyl-1-(3-thienyl)-1-butanone | C14H14OS

2-Phenyl-1-(3-thienyl)-1-butanone

  • Molecular FormulaC14H14OS
  • Average mass230.325 Da
  • Monoisotopic mass230.076538 Da
  • ChemSpider ID72042197

More details:

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

1-Butanone, 2-phenyl-1-(3-thienyl)- [ACD/Index Name]
2-Phenyl-1-(3-thienyl)-1-butanon [German] [ACD/IUPAC Name]
2-Phenyl-1-(3-thienyl)-1-butanone [ACD/IUPAC Name]
2-Phényl-1-(3-thiényl)-1-butanone [French] [ACD/IUPAC Name]
1597209-11-4 [RN]
2-Phenyl-1-(thiophen-3-yl)butan-1-one
BS-15471

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

Density: 1.1±0.1 g/cm3
Boiling Point: 344.3±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.8±3.0 kJ/mol
Flash Point: 162.0±20.9 °C
Index of Refraction: 1.582
Molar Refractivity: 68.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 439.14
ACD/KOC (pH 5.5): 2711.32
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 439.14
ACD/KOC (pH 7.4): 2711.32
Polar Surface Area: 45 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 204.9±3.0 cm3

Click to predict properties on the Chemicalize site


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