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Search term: MF = 'C_{13}H_{14}O_{3}S'
ChemSpider 2D Image | 5-[(2,5-Dimethyl-3-thienyl)methoxy]-2-methyl-4H-pyran-4-one | C13H14O3S

5-[(2,5-Dimethyl-3-thienyl)methoxy]-2-methyl-4H-pyran-4-one

  • Molecular FormulaC13H14O3S
  • Average mass250.314 Da
  • Monoisotopic mass250.066360 Da
  • ChemSpider ID35201461

More details:

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

4H-Pyran-4-one, 5-[(2,5-dimethyl-3-thienyl)methoxy]-2-methyl- [ACD/Index Name]
5-[(2,5-Dimethyl-3-thienyl)methoxy]-2-methyl-4H-pyran-4-on [German] [ACD/IUPAC Name]
5-[(2,5-Dimethyl-3-thienyl)methoxy]-2-methyl-4H-pyran-4-one [ACD/IUPAC Name]
5-[(2,5-Diméthyl-3-thiényl)méthoxy]-2-méthyl-4H-pyran-4-one [French] [ACD/IUPAC 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: 439.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 219.3±28.7 °C
Index of Refraction: 1.575
Molar Refractivity: 67.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.39
ACD/KOC (pH 5.5): 600.00
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.39
ACD/KOC (pH 7.4): 600.00
Polar Surface Area: 64 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 204.1±5.0 cm3

Click to predict properties on the Chemicalize site


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