Chemical Properties of 2-Fluorobenzoic acid, pentafluorophenyl ester

2-Fluorobenzoic acid, pentafluorophenyl ester

InChI
InChI=1S/C13H4F6O2/c14-6-4-2-1-3-5(6)13(20)21-12-10(18)8(16)7(15)9(17)11(12)19/h1-4H
InChI Key
IHTAXFVWOYSVBK-UHFFFAOYSA-N
Formula
C13H4F6O2
SMILES
O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccccc1F
Molecular Weight1
306.16
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Physical Properties

Property Value Unit Source
ΔfH°gas -1090.09 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 38.02 kJ/mol Joback Calculated Property
IE 9.20 eV Relay (1.0) Calculated Property
log10WS -6.26 Relay (1.0) Calculated Property
logPoct/wat 3.740 Crippen Calculated Property
McVol 164.570 ml/mol McGowan Calculated Property
Pc 2145.33 kPa Joback Calculated Property
Inp 1529.00 NIST
Tboil 525.84 K Relay (1.0) Calculated Property
Tfus 309.19 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 [247.58; 485.25] 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 A7.10100e+01
Coefficient B7.40000e-01
Coefficient C-3.47360e-04
Coefficient D2.16000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 247.58 J/mol×K 273.00 Calculated Property
Cp,gas 290.29 J/mol×K 353.78 Calculated Property
Cp,gas 328.76 J/mol×K 434.56 Calculated Property
Cp,gas 363.06 J/mol×K 515.33 Calculated Property
Cp,gas 393.27 J/mol×K 596.11 Calculated Property
Cp,gas 419.45 J/mol×K 676.89 Calculated Property
Cp,gas 441.67 J/mol×K 757.67 Calculated Property
Cp,gas 460.00 J/mol×K 838.44 Calculated Property
Cp,gas 474.50 J/mol×K 919.22 Calculated Property
Cp,gas 485.25 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,4-Difluorobenzoic acid, pentafluorophenyl ester. 3-Fluorobenzoic acid, pentafluorophenyl ester. 4-Fluorobenzoic acid, pentafluorophenyl ester. 3-Chloro-2-fluorobenzoic acid, pentafluorophenyl ester. Benzoic acid, pentafluorophenyl ester. 2-Fluorobenzoic acid, 3,5-difluorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, pentafluorophenyl ester. 2,5-Difluorobenzoic acid, 3,5-difluophenyl ester. 2,4-Difluorobenzoic acid, 3,5-difluophenyl ester. 2-Fluorobenzoic acid, phenyl ester. 2-Fluorobenzoic acid, 4-methoxyphenyl ester. 2-Fluorobenzoic acid, 4-chlorophenyl ester. 2-Fluorobenzoic acid, 4-cyanophenyl ester. 3-Bromobenzoic acid, pentafluorophenyl ester. 1-Naphthoic acid, pentafluorophenyl ester.

Find more compounds similar to 2-Fluorobenzoic acid, pentafluorophenyl ester.

Sources

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