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Search term: CQAYPONNLVVJEF-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-Cyano-2-(pentafluorophenyl)butanoic acid | C11H6F5NO2

2-Cyano-2-(pentafluorophenyl)butanoic acid

  • Molecular FormulaC11H6F5NO2
  • Average mass279.163 Da
  • Monoisotopic mass279.031860 Da
  • ChemSpider ID34996917

More details:

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

2-Cyan-2-(pentafluorphenyl)butansäure [German] [ACD/IUPAC Name]
2-Cyano-2-(pentafluorophenyl)butanoic acid [ACD/IUPAC Name]
Acide 2-cyano-2-(pentafluorophényl)butanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-cyano-α-ethyl-2,3,4,5,6-pentafluoro- [ACD/Index Name]
2340-87-6 [RN]
Ethyl cyano(pentafluorophenyl)acetate [ACD/IUPAC Name]
ETHYLCYANO(PENTAFLUOROPHENYL)ACETATE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 320.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 147.7±27.9 °C
Index of Refraction: 1.470
Molar Refractivity: 50.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 61 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 181.7±3.0 cm3

Click to predict properties on the Chemicalize site


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