ChemSpider 2D Image | 2-Methyl-3-[(2-{[3-(trifluoromethyl)phenyl]sulfanyl}ethyl)sulfanyl]-1-propanol | C13H17F3OS2

2-Methyl-3-[(2-{[3-(trifluoromethyl)phenyl]sulfanyl}ethyl)sulfanyl]-1-propanol

  • Molecular FormulaC13H17F3OS2
  • Average mass310.399 Da
  • Monoisotopic mass310.067291 Da
  • ChemSpider ID71501046

More details:

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

1-Propanol, 2-methyl-3-[[2-[[3-(trifluoromethyl)phenyl]thio]ethyl]thio]- [ACD/Index Name]
2-Methyl-3-[(2-{[3-(trifluormethyl)phenyl]sulfanyl}ethyl)sulfanyl]-1-propanol [German] [ACD/IUPAC Name]
2-Methyl-3-[(2-{[3-(trifluoromethyl)phenyl]sulfanyl}ethyl)sulfanyl]-1-propanol [ACD/IUPAC Name]
2-Méthyl-3-[(2-{[3-(trifluorométhyl)phényl]sulfanyl}éthyl)sulfanyl]-1-propanol [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 371.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.2±3.0 kJ/mol
Flash Point: 178.3±27.9 °C
Index of Refraction: 1.538
Molar Refractivity: 77.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 709.60
ACD/KOC (pH 5.5): 3822.57
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 709.60
ACD/KOC (pH 7.4): 3822.57
Polar Surface Area: 71 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 246.5±5.0 cm3

Click to predict properties on the Chemicalize site


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