ChemSpider 2D Image | 3-{[3-(Trifluoromethyl)benzyl]sulfanyl}-1-butanol | C12H15F3OS

3-{[3-(Trifluoromethyl)benzyl]sulfanyl}-1-butanol

  • Molecular FormulaC12H15F3OS
  • Average mass264.307 Da
  • Monoisotopic mass264.079559 Da
  • ChemSpider ID48768719

More details:

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

1-Butanol, 3-[[[3-(trifluoromethyl)phenyl]methyl]thio]- [ACD/Index Name]
3-{[3-(Trifluormethyl)benzyl]sulfanyl}-1-butanol [German] [ACD/IUPAC Name]
3-{[3-(Trifluoromethyl)benzyl]sulfanyl}-1-butanol [ACD/IUPAC Name]
3-{[3-(Trifluorométhyl)benzyl]sulfanyl}-1-butanol [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: 300.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.0±3.0 kJ/mol
Flash Point: 135.4±26.5 °C
Index of Refraction: 1.503
Molar Refractivity: 64.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 268.97
ACD/KOC (pH 5.5): 1908.91
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 268.97
ACD/KOC (pH 7.4): 1908.91
Polar Surface Area: 46 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 217.1±3.0 cm3

Click to predict properties on the Chemicalize site


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