ChemSpider 2D Image | 2-(4-Methylphenyl)-2-phenyl-1,3-dithiolane | C16H16S2

2-(4-Methylphenyl)-2-phenyl-1,3-dithiolane

  • Molecular FormulaC16H16S2
  • Average mass272.428 Da
  • Monoisotopic mass272.069336 Da
  • ChemSpider ID57473662

More details:

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

1,3-Dithiolane, 2-(4-methylphenyl)-2-phenyl- [ACD/Index Name]
2-(4-Methylphenyl)-2-phenyl-1,3-dithiolan [German] [ACD/IUPAC Name]
2-(4-Methylphenyl)-2-phenyl-1,3-dithiolane [ACD/IUPAC Name]
2-(4-Méthylphényl)-2-phényl-1,3-dithiolane [French] [ACD/IUPAC Name]
76312-48-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 412.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.0±3.0 kJ/mol
Flash Point: 207.4±25.8 °C
Index of Refraction: 1.646
Molar Refractivity: 83.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5443.78
ACD/KOC (pH 5.5): 16434.24
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5443.78
ACD/KOC (pH 7.4): 16434.24
Polar Surface Area: 51 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 230.7±3.0 cm3

Click to predict properties on the Chemicalize site


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