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° 36.44 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 2229.20 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [408.58; 459.13] J/mol×K [651.99; 845.58] Show Hide
Cp,gas 408.58 J/mol×K 651.99 Joback Calculated Property
Cp,gas 418.46 J/mol×K 684.26 Joback Calculated Property
Cp,gas 427.76 J/mol×K 716.52 Joback Calculated Property
Cp,gas 436.47 J/mol×K 748.79 Joback Calculated Property
Cp,gas 444.60 J/mol×K 781.05 Joback Calculated Property
Cp,gas 452.15 J/mol×K 813.32 Joback Calculated Property
Cp,gas 459.13 J/mol×K 845.58 Joback 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. 1-Naphthoic acid, pentafluorophenyl ester. 3-Bromobenzoic acid, pentafluorophenyl ester.

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

Sources

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