ChemSpider 2D Image | 2-(2,2,2-Trifluoroethoxy)propanenitrile | C5H6F3NO

2-(2,2,2-Trifluoroethoxy)propanenitrile

  • Molecular FormulaC5H6F3NO
  • Average mass153.102 Da
  • Monoisotopic mass153.040146 Da
  • ChemSpider ID27122240

More details:

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

1250815-37-2 [RN]
1-Cyanoethoxy 2,2,2-trifluoroethyl ether
2-(2,2,2-Trifluorethoxy)propannitril [German] [ACD/IUPAC Name]
2-(2,2,2-Trifluoroethoxy)propanenitrile [ACD/IUPAC Name]
2-(2,2,2-Trifluoroéthoxy)propanenitrile [French] [ACD/IUPAC Name]
MFCD16079400
Propanenitrile, 2-(2,2,2-trifluoroethoxy)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 140.4±40.0 °C at 760 mmHg
Vapour Pressure: 6.1±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.8±3.0 kJ/mol
Flash Point: 38.7±27.3 °C
Index of Refraction: 1.348
Molar Refractivity: 27.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.34
ACD/KOC (pH 5.5): 99.49
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.34
ACD/KOC (pH 7.4): 99.49
Polar Surface Area: 33 Å2
Polarizability: 10.8±0.5 10-24cm3
Surface Tension: 23.2±3.0 dyne/cm
Molar Volume: 127.6±3.0 cm3

Click to predict properties on the Chemicalize site


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