ChemSpider 2D Image | Pentafluorophenyl propiolate | C9HF5O2

Pentafluorophenyl propiolate

  • Molecular FormulaC9HF5O2
  • Average mass236.095 Da
  • Monoisotopic mass235.989670 Da
  • ChemSpider ID24775706

More details:

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

2-Propynoic acid, 2,3,4,5,6-pentafluorophenyl ester [ACD/Index Name]
Pentafluorophenyl propiolate [ACD/IUPAC Name]
Pentafluorphenylpropiolat [German] [ACD/IUPAC Name]
Propiolate de pentafluorophényle [French] [ACD/IUPAC Name]
137601-08-2 [RN]
2,3,4,5,6-pentafluorophenyl prop-2-ynoate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 217.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.3±3.0 kJ/mol
Flash Point: 82.8±22.2 °C
Index of Refraction: 1.452
Molar Refractivity: 40.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.55
ACD/KOC (pH 5.5): 656.49
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.55
ACD/KOC (pH 7.4): 656.49
Polar Surface Area: 26 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 148.4±3.0 cm3

Click to predict properties on the Chemicalize site


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