ChemSpider 2D Image | (1S)-1-[4-(Trifluoromethyl)phenyl]-1,2-ethanediol | C9H9F3O2

(1S)-1-[4-(Trifluoromethyl)phenyl]-1,2-ethanediol

  • Molecular FormulaC9H9F3O2
  • Average mass206.162 Da
  • Monoisotopic mass206.055466 Da
  • ChemSpider ID74784995

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-[4-(Trifluormethyl)phenyl]-1,2-ethandiol [German] [ACD/IUPAC Name]
(1S)-1-[4-(Trifluoromethyl)phenyl]-1,2-ethanediol [ACD/IUPAC Name]
(1S)-1-[4-(Trifluorométhyl)phényl]-1,2-éthanediol [French] [ACD/IUPAC Name]
1,2-Ethanediol, 1-[4-(trifluoromethyl)phenyl]-, (1S)- [ACD/Index Name]
306281-87-8 [RN]
(1S)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diol
MFCD31794676

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

Density: 1.4±0.1 g/cm3
Boiling Point: 298.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.8±3.0 kJ/mol
Flash Point: 134.3±25.9 °C
Index of Refraction: 1.491
Molar Refractivity: 43.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 4.19
ACD/KOC (pH 5.5): 97.00
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.19
ACD/KOC (pH 7.4): 97.00
Polar Surface Area: 40 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 151.5±3.0 cm3

Click to predict properties on the Chemicalize site


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