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

3-Chloro-2-fluorobenzoic acid, cyclohexyl ester

InChI
InChI=1S/C13H14ClFO2/c14-11-8-4-7-10(12(11)15)13(16)17-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChI Key
MDUVYNSQHOLDDV-UHFFFAOYSA-N
Formula
C13H14ClFO2
SMILES
O=C(OC1CCCCC1)c1cccc(Cl)c1F
Molecular Weight1
256.70
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Physical Properties

Property Value Unit Source
ΔfH°gas -552.32 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 26.17 kJ/mol Joback Calculated Property
logPoct/wat 3.969 Crippen Calculated Property
McVol 180.860 ml/mol McGowan Calculated Property
Inp 1853.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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 [464.76; 547.38] J/mol×K [648.15; 879.85] Show Hide
Cp,gas 464.76 J/mol×K 648.15 Joback Calculated Property
Cp,gas 481.61 J/mol×K 686.77 Joback Calculated Property
Cp,gas 497.19 J/mol×K 725.38 Joback Calculated Property
Cp,gas 511.52 J/mol×K 764.00 Joback Calculated Property
Cp,gas 524.65 J/mol×K 802.62 Joback Calculated Property
Cp,gas 536.59 J/mol×K 841.23 Joback Calculated Property
Cp,gas 547.38 J/mol×K 879.85 Joback Calculated Property

Similar Compounds

3-Chloro2-fluorobenzoic acid, 5-pentadecyl ester. 3-Chloro2-fluorobenzoic acid, 6-dodecyl ester. 3-Chloro2-fluorobenzoic acid, 6-tetradecyl ester. 3-Chloro2-fluorobenzoic acid, 4-pentadecyl ester. 3-Chloro2-fluorobenzoic acid, 4-dodecyl ester. 3-Chloro2-fluorobenzoic acid, 6-pentadecyl ester. 3-Chloro2-fluorobenzoic acid, 4-tetradecyl ester. 3-Chloro2-fluorobenzoic acid, 4-tridecyl ester. 3-Chloro2-fluorobenzoic acid, 5-tetradecyl ester. 3-Chloro2-fluorobenzoic acid, 5-dodecyl ester. 3-Chloro2-fluorobenzoic acid, 3-hexadecyl ester. 3-Chloro2-fluorobenzoic acid, 3-tetradecyl ester. 3-Chloro2-fluorobenzoic acid, 3-dodecyl ester. 3-Chloro2-fluorobenzoic acid, 3-tridecyl ester. 3-Chloro2-fluorobenzoic acid, 3-pentadecyl ester.

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

Sources

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