ChemSpider 2D Image | (2S)-4,4,4-Trifluoro-2-butanol | C4H7F3O

(2S)-4,4,4-Trifluoro-2-butanol

  • Molecular FormulaC4H7F3O
  • Average mass128.093 Da
  • Monoisotopic mass128.044907 Da
  • ChemSpider ID61038958

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4,4,4-Trifluor-2-butanol [German] [ACD/IUPAC Name]
(2S)-4,4,4-Trifluoro-2-butanol [ACD/IUPAC Name]
(2S)-4,4,4-Trifluoro-2-butanol [French] [ACD/IUPAC Name]
2-Butanol, 4,4,4-trifluoro-, (2S)- [ACD/Index Name]
(2S)-4,4,4-trifluorobutan-2-ol
494752-71-5 [RN]
MFCD30171506

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

Density: 1.2±0.1 g/cm3
Boiling Point: 104.0±35.0 °C at 760 mmHg
Vapour Pressure: 17.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 40.0±6.0 kJ/mol
Flash Point: 54.3±17.0 °C
Index of Refraction: 1.335
Molar Refractivity: 22.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.87
ACD/KOC (pH 5.5): 54.53
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.87
ACD/KOC (pH 7.4): 54.53
Polar Surface Area: 20 Å2
Polarizability: 8.9±0.5 10-24cm3
Surface Tension: 19.6±3.0 dyne/cm
Molar Volume: 108.8±3.0 cm3

Click to predict properties on the Chemicalize site


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