ChemSpider 2D Image | 3-Butyl-1H-isochromene-1-thione | C13H14OS

3-Butyl-1H-isochromene-1-thione

  • Molecular FormulaC13H14OS
  • Average mass218.315 Da
  • Monoisotopic mass218.076538 Da
  • ChemSpider ID21123609

More details:

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

1H-2-Benzopyran-1-thione, 3-butyl- [ACD/Index Name]
3-Butyl-1H-isochromen-1-thion [German] [ACD/IUPAC Name]
3-Butyl-1H-isochromene-1-thione [ACD/IUPAC Name]
3-Butyl-1H-isochromène-1-thione [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 311.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.1±3.0 kJ/mol
Flash Point: 142.4±28.7 °C
Index of Refraction: 1.605
Molar Refractivity: 65.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1475.69
ACD/KOC (pH 5.5): 6456.01
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1475.69
ACD/KOC (pH 7.4): 6456.01
Polar Surface Area: 41 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 190.6±5.0 cm3

Click to predict properties on the Chemicalize site


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