Chemical Properties of 3-Chloro-2-fluorobenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester

3-Chloro-2-fluorobenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester

InChI
InChI=1S/C11H5ClF8O2/c12-6-3-1-2-5(7(6)13)8(21)22-4-9(14,15)10(16,17)11(18,19)20/h1-3H,4H2
InChI Key
WCFCNXHSTQWYIC-UHFFFAOYSA-N
Formula
C11H5ClF8O2
SMILES
O=C(OCC(F)(F)C(F)(F)C(F)(F)F)c1cccc(Cl)c1F
Molecular Weight1
356.60
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Physical Properties

Property Value Unit Source
ΔfusH° 26.89 kJ/mol Joback Calculated Property
logPoct/wat 4.469 Crippen Calculated Property
McVol 175.930 ml/mol McGowan Calculated Property
Inp 1285.00 NIST
Tboil 500.54 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [448.34; 499.85] J/mol×K [585.91; 763.33] Show Hide
Cp,gas 448.34 J/mol×K 585.91 Joback Calculated Property
Cp,gas 458.75 J/mol×K 615.48 Joback Calculated Property
Cp,gas 468.37 J/mol×K 645.05 Joback Calculated Property
Cp,gas 477.24 J/mol×K 674.62 Joback Calculated Property
Cp,gas 485.41 J/mol×K 704.19 Joback Calculated Property
Cp,gas 492.93 J/mol×K 733.76 Joback Calculated Property
Cp,gas 499.85 J/mol×K 763.33 Joback Calculated Property

Similar Compounds

3-Chloro-2-fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Chlorobenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. 2-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2,4-Difluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. 3-Chloro-2-fluorobenzoic acid, butyl ester. 3-Chloro-2-fluorobenzoic acid, 3-methylbutyl ester. 1,5-Pentanediol, O,O'-bis(3-chloro-2-fluorobenzoyl)-. 3-Chloro-2-fluorobenzoic acid, pentyl ester. 2-Chlorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Chloro-2-fluorobenzoic acid, 2-methylbutyl ester. 3-Chloro-2-fluorobenzoic acid, isobutyl ester. 3-Chloro-2-fluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Chloro-2-fluorobenzoic acid, hexyl ester. 3-Chloro-2-fluorobenzoic acid, neopentyl ester.

Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester.

Sources

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