ChemSpider 2D Image | 2-[3-Chloro-5-(trifluoromethyl)phenyl]ethanethiol | C9H8ClF3S

2-[3-Chloro-5-(trifluoromethyl)phenyl]ethanethiol

  • Molecular FormulaC9H8ClF3S
  • Average mass240.673 Da
  • Monoisotopic mass239.998734 Da
  • ChemSpider ID65443795

More details:






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

2-[3-Chlor-5-(trifluormethyl)phenyl]ethanthiol [German] [ACD/IUPAC Name]
2-[3-Chloro-5-(trifluoromethyl)phenyl]ethanethiol [ACD/IUPAC Name]
2-[3-Chloro-5-(trifluorométhyl)phényl]éthanethiol [French] [ACD/IUPAC Name]
Benzeneethanethiol, 3-chloro-5-(trifluoromethyl)- [ACD/Index Name]
2-[3-chloro-5-(trifluoromethyl)phenyl]ethane-1-thiol
2228854-49-5 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 238.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 45.6±3.0 kJ/mol
Flash Point: 98.1±27.3 °C
Index of Refraction: 1.501
Molar Refractivity: 53.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1423.36
ACD/KOC (pH 5.5): 6291.25
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1419.60
ACD/KOC (pH 7.4): 6274.63
Polar Surface Area: 39 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 31.0±3.0 dyne/cm
Molar Volume: 181.8±3.0 cm3

Click to predict properties on the Chemicalize site






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