ChemSpider 2D Image | (2S)-2-[3,5-Bis(trifluoromethyl)phenyl]oxirane | C10H6F6O

(2S)-2-[3,5-Bis(trifluoromethyl)phenyl]oxirane

  • Molecular FormulaC10H6F6O
  • Average mass256.145 Da
  • Monoisotopic mass256.032288 Da
  • ChemSpider ID40863503

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[3,5-Bis(trifluormethyl)phenyl]oxiran [German] [ACD/IUPAC Name]
(2S)-2-[3,5-Bis(trifluoromethyl)phenyl]oxirane [ACD/IUPAC Name]
(2S)-2-[3,5-Bis(trifluorométhyl)phényl]oxirane [French] [ACD/IUPAC Name]
Oxirane, 2-[3,5-bis(trifluoromethyl)phenyl]-, (2S)- [ACD/Index Name]
360048-82-4 [RN]
MFCD25883578

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

Density: 1.5±0.1 g/cm3
Boiling Point: 165.8±35.0 °C at 760 mmHg
Vapour Pressure: 2.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.6±3.0 kJ/mol
Flash Point: 60.2±21.8 °C
Index of Refraction: 1.429
Molar Refractivity: 45.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 166.84
ACD/KOC (pH 5.5): 1356.22
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 166.84
ACD/KOC (pH 7.4): 1356.22
Polar Surface Area: 13 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 25.0±3.0 dyne/cm
Molar Volume: 175.5±3.0 cm3

Click to predict properties on the Chemicalize site


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