ChemSpider 2D Image | (2S)-1,1,1,3,4,4,4-Heptafluoro-2-butanol | C4H3F7O

(2S)-1,1,1,3,4,4,4-Heptafluoro-2-butanol

  • Molecular FormulaC4H3F7O
  • Average mass200.055 Da
  • Monoisotopic mass200.007217 Da
  • ChemSpider ID65724491

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-1,1,1,3,4,4,4-Heptafluor-2-butanol [German] [ACD/IUPAC Name]
(2S)-1,1,1,3,4,4,4-Heptafluoro-2-butanol [ACD/IUPAC Name]
(2S)-1,1,1,3,4,4,4-Heptafluoro-2-butanol [French] [ACD/IUPAC Name]
2-Butanol, 1,1,1,3,4,4,4-heptafluoro-, (2S)- [ACD/Index Name]
(2S)-1,1,1,3,4,4,4-heptafluorobutan-2-ol
2228027-14-1 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 136.6±35.0 °C at 760 mmHg
Vapour Pressure: 3.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 43.6±6.0 kJ/mol
Flash Point: 36.4±25.9 °C
Index of Refraction: 1.282
Molar Refractivity: 23.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.26
ACD/KOC (pH 5.5): 233.21
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.25
ACD/KOC (pH 7.4): 233.00
Polar Surface Area: 20 Å2
Polarizability: 9.2±0.5 10-24cm3
Surface Tension: 15.4±3.0 dyne/cm
Molar Volume: 131.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement