ChemSpider 2D Image | Dimethyl (2Z)-3-(pentafluoroethyl)-2-pentenedioate | C9H9F5O4

Dimethyl (2Z)-3-(pentafluoroethyl)-2-pentenedioate

  • Molecular FormulaC9H9F5O4
  • Average mass276.157 Da
  • Monoisotopic mass276.042114 Da
  • ChemSpider ID24783396

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-(Pentafluoroéthyl)-2-pentènedioate de diméthyle [French] [ACD/IUPAC Name]
2-Pentenedioic acid, 3-(1,1,2,2,2-pentafluoroethyl)-, dimethyl ester, (2Z)- [ACD/Index Name]
Dimethyl (2Z)-3-(pentafluoroethyl)-2-pentenedioate [ACD/IUPAC Name]
Dimethyl-(2Z)-3-(pentafluorethyl)-2-pentendioat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 215.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.1±3.0 kJ/mol
Flash Point: 81.7±22.2 °C
Index of Refraction: 1.385
Molar Refractivity: 47.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 98.07
ACD/KOC (pH 5.5): 927.17
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 98.07
ACD/KOC (pH 7.4): 927.17
Polar Surface Area: 53 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 25.6±3.0 dyne/cm
Molar Volume: 204.8±3.0 cm3

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