ChemSpider 2D Image | Ethyl 3-fluoro-4-iodobenzoate | C9H8FIO2

Ethyl 3-fluoro-4-iodobenzoate

  • Molecular FormulaC9H8FIO2
  • Average mass294.061 Da
  • Monoisotopic mass293.955292 Da
  • ChemSpider ID21391027

More details:

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

26867855 [Beilstein]
3-Fluoro-4-iodobenzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-fluoro-4-iodo-, ethyl ester [ACD/Index Name]
Ethyl 3-fluoro-4-iodobenzoate [ACD/IUPAC Name]
Ethyl-3-fluor-4-iodbenzoat [German] [ACD/IUPAC Name]
IR BF DVO2 [WLN]
1027513-43-4 [RN]
FS-5695
MFCD09800727 [MDL number]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 301.6±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.2±3.0 kJ/mol
Flash Point: 136.2±25.1 °C
Index of Refraction: 1.567
Molar Refractivity: 55.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 379.96
ACD/KOC (pH 5.5): 2444.43
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 379.96
ACD/KOC (pH 7.4): 2444.43
Polar Surface Area: 26 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 170.1±3.0 cm3

Click to predict properties on the Chemicalize site


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