Chemical Properties of 3-Chlorobenzoic acid, pentafluorobenzyl ester

3-Chlorobenzoic acid, pentafluorobenzyl ester

InChI
InChI=1S/C14H6ClF5O2/c15-7-3-1-2-6(4-7)14(21)22-5-8-9(16)11(18)13(20)12(19)10(8)17/h1-4H,5H2
InChI Key
OAAVKYAFTYDFGI-UHFFFAOYSA-N
Formula
C14H6ClF5O2
SMILES
O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1cccc(Cl)c1
Molecular Weight1
336.64
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Physical Properties

Property Value Unit Source
ΔfH°gas -967.68 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 41.73 kJ/mol Joback Calculated Property
IE 9.35 eV Relay (1.0) Calculated Property
log10WS -6.90 Relay (1.0) Calculated Property
logPoct/wat 4.393 Crippen Calculated Property
McVol 189.130 ml/mol McGowan Calculated Property
Inp 1850.00 NIST
Tboil 578.90 K Relay (1.0) Calculated Property
Tfus 321.18 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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 [470.20; 521.37] J/mol×K [695.16; 895.96] Show Hide
Cp,gas 470.20 J/mol×K 695.16 Joback Calculated Property
Cp,gas 480.52 J/mol×K 728.63 Joback Calculated Property
Cp,gas 490.11 J/mol×K 762.09 Joback Calculated Property
Cp,gas 498.98 J/mol×K 795.56 Joback Calculated Property
Cp,gas 507.15 J/mol×K 829.03 Joback Calculated Property
Cp,gas 514.60 J/mol×K 862.50 Joback Calculated Property
Cp,gas 521.37 J/mol×K 895.96 Joback Calculated Property

Similar Compounds

Isophthalic acid, di(pentafluorobenzyl) ester. Isophthalic acid, ethyl pentafluorobenzyl ester. Benzoic acid, (2,3,4,5-tetrafluorophenyl)methyl ester. Benzoic acid, (2,3,6-trifluorophenyl)methyl ester. Isophthalic acid, pentafluorobenzyl propyl ester. Benzyl 3-chlorobenzoate. Phthalic acid, di(2,3,4,5-tetrafluorobenzyl) ester. 4-Fluoro-2-trifluoromethylbenzoic acid, pentafluorobenzyl ester. Terephthalic acid, di(2,3,5-trifluorobenzyl) ester. Phthalic acid, di(2,4,5-trifluorobenzyl) ester. Phthalic acid, ethyl 2,3,4,5-tetrafluorobenzyl ester. 3-(Methylthio)benzoic acid, 2,3,4,5-tetrafluorobenzyl ester. 4-(Methylthio)benzoic acid, 2,3,4,5-tetrafluorobenzyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, pentafluorobenzyl ester. 2,5-Di(trifluoromethyl)benzoic acid, pentafluorobenzyl ester.

Find more compounds similar to 3-Chlorobenzoic acid, pentafluorobenzyl ester.

Sources

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