ChemSpider 2D Image | 4-Phenyl-1,2,3-benzotrithiole | C12H8S3

4-Phenyl-1,2,3-benzotrithiole

  • Molecular FormulaC12H8S3
  • Average mass248.387 Da
  • Monoisotopic mass247.978806 Da
  • ChemSpider ID62890882

More details:

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

1,2,3-Benzotrithiole, 4-phenyl- [ACD/Index Name]
4-Phenyl-1,2,3-benzotrithiol [German] [ACD/IUPAC Name]
4-Phenyl-1,2,3-benzotrithiole [ACD/IUPAC Name]
4-Phényl-1,2,3-benzotrithiole [French] [ACD/IUPAC Name]
1021435-30-2 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 445.4±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 243.2±23.8 °C
Index of Refraction: 1.742
Molar Refractivity: 73.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1743.27
ACD/KOC (pH 5.5): 7273.88
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1743.27
ACD/KOC (pH 7.4): 7273.88
Polar Surface Area: 76 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 63.0±3.0 dyne/cm
Molar Volume: 182.2±3.0 cm3

Click to predict properties on the Chemicalize site


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