Chemical Properties of 3-Chloro-2-fluorobenzoic acid, isopropyl ester

3-Chloro-2-fluorobenzoic acid, isopropyl ester

InChI
InChI=1S/C10H10ClFO2/c1-6(2)14-10(13)7-4-3-5-8(11)9(7)12/h3-6H,1-2H3
InChI Key
HZFZKJTTXAZAHD-UHFFFAOYSA-N
Formula
C10H10ClFO2
SMILES
CC(C)OC(=O)c1cccc(Cl)c1F
Molecular Weight1
216.64
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Physical Properties

Property Value Unit Source
ΔfusH° 23.04 kJ/mol Joback Calculated Property
IE 9.36 eV Relay (1.0) Calculated Property
logPoct/wat 3.044 Crippen Calculated Property
McVol 149.450 ml/mol McGowan Calculated Property
Inp 1410.00 NIST
Tboil 500.49 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, 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 [330.75; 393.44] J/mol×K [559.52; 770.28] Show Hide
Cp,gas 330.75 J/mol×K 559.52 Joback Calculated Property
Cp,gas 342.96 J/mol×K 594.65 Joback Calculated Property
Cp,gas 354.44 J/mol×K 629.77 Joback Calculated Property
Cp,gas 365.23 J/mol×K 664.90 Joback Calculated Property
Cp,gas 375.31 J/mol×K 700.03 Joback Calculated Property
Cp,gas 384.72 J/mol×K 735.15 Joback Calculated Property
Cp,gas 393.44 J/mol×K 770.28 Joback Calculated Property

Similar Compounds

3-Chloro-2-fluorobenzoic acid, ethyl ester. 3-Chloro-2-fluorobenzoic acid, propyl ester. 3-Chloro-2-fluorobenzoic acid, 2-chloroethyl ester. 3-Chloro-2-fluorobenzoic acid, isobutyl ester. 3-Chloro-2-fluorobenzoic acid, 2-methoxyethyl ester. 3-Chloro-2-fluorobenzoic acid, 3-methylbutyl-2 ester. 3-Chloro-2-fluorobenzoic acid, 2-ethoxyethyl ester. 3-Chloro-2-fluorobenzoic acid, 2,2,2-trichloroethyl ester. 3-Chloro-2-fluorobenzoic acid, butyl ester. 3-Chloro-2-fluorobenzoic acid, neopentyl ester. 3-Chloro-2-fluorobenzoic acid, methyl ester. 3-Chloro-2-fluorobenzoic acid, 2-pentyl ester. 3-Chloro-2-fluorobenzoic acid, 3-methylbutyl ester. 3-Chloro-2-fluorobenzoic acid, pentyl ester. 3-Chloro-2-fluorobenzoic acid, hexyl ester.

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

Sources

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