Chemical Properties of 2-(2-Ethoxyethoxy)ethyl 2,3,4,5,6-pentafluorobenzoate

2-(2-Ethoxyethoxy)ethyl 2,3,4,5,6-pentafluorobenzoate

InChI
InChI=1S/C13H13F5O4/c1-2-20-3-4-21-5-6-22-13(19)7-8(14)10(16)12(18)11(17)9(7)15/h2-6H2,1H3
InChI Key
SZCGRTKSXWGXPC-UHFFFAOYSA-N
Formula
C13H13F5O4
SMILES
CCOCCOCCOC(=O)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
328.23
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Physical Properties

Property Value Unit Source
ΔfusH° 43.67 kJ/mol Joback Calculated Property
ΔvapH° 80.56 kJ/mol Relay (1.0) Calculated Property
IE 9.49 eV Relay (1.0) Calculated Property
logPoct/wat 2.592 Crippen Calculated Property
McVol 198.300 ml/mol McGowan Calculated Property
Pc 1647.09 kPa Joback Calculated Property
Inp [1595.00; 1595.00]   Show Hide
Inp 1595.00 NIST
Inp 1595.00 NIST
Tboil 551.20 K Relay (1.0) Calculated Property
Tc 729.70 K Relay (1.0) Calculated Property
Tfus 251.90 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [324.90; 636.75] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.35525e+02
Coefficient B7.40220e-01
Coefficient C-1.44800e-04
Coefficient D-9.42000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 324.90 J/mol×K 273.00 Calculated Property
Cp,gas 375.10 J/mol×K 353.78 Calculated Property
Cp,gas 422.12 J/mol×K 434.56 Calculated Property
Cp,gas 465.64 J/mol×K 515.33 Calculated Property
Cp,gas 505.37 J/mol×K 596.11 Calculated Property
Cp,gas 541.01 J/mol×K 676.89 Calculated Property
Cp,gas 572.27 J/mol×K 757.67 Calculated Property
Cp,gas 598.84 J/mol×K 838.44 Calculated Property
Cp,gas 620.43 J/mol×K 919.22 Calculated Property
Cp,gas 636.75 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-Ethoxyethyl 2,3,4,5,6-pentafluorobenzoate. Oxybis(ethane-2,1-diyl) bis(2,3,4,5,6-pentafluorobenzoate). 2-(2-(2-Methoxyethoxy)ethoxy)ethyl 2,3,4,5,6-pentafluorobenzoate. 2,5,8,11-Tetraoxatridecan-13-yl 2,3,4,5,6-pentafluorobenzoate. 2-(2-Methoxyethoxy)ethyl 2,3,4,5,6-pentafluorobenzoate. 2-Methoxyethyl 2,3,4,5,6-pentafluorobenzoate. Ethane-1,2-diyl bis(2,3,4,5,6-pentafluorobenzoate). 2-(2-Butoxyethoxy)ethyl 2,3,4,5,6-pentafluorobenzoate. 2-(2-(2-Butoxyethoxy)ethoxy)ethyl 2,3,4,5,6-pentafluorobenzoate. 2-Butoxyethyl 2,3,4,5,6-pentafluorobenzoate. Pentafluorobenzoic acid, ethyl ester. 1-Propoxypropan-2-yl 2,3,4,5,6-pentafluorobenzoate. 1-((1-Methoxypropan-2-yl)oxy)propan-2-yl 2,3,4,5,6-pentafluorobenzoate. 1-(tert-Butoxy)propan-2-yl 2,3,4,5,6-pentafluorobenzoate. 1-Butoxypropan-2-yl 2,3,4,5,6-pentafluorobenzoate.

Find more compounds similar to 2-(2-Ethoxyethoxy)ethyl 2,3,4,5,6-pentafluorobenzoate.

Sources

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