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

3-Chloro-2-fluorobenzoic acid, cyclohexylmethyl ester

InChI
InChI=1S/C14H16ClFO2/c15-12-8-4-7-11(13(12)16)14(17)18-9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2
InChI Key
CIXJCBZECJWMCV-UHFFFAOYSA-N
Formula
C14H16ClFO2
SMILES
O=C(OCC1CCCCC1)c1cccc(Cl)c1F
Molecular Weight1
270.73
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Physical Properties

Property Value Unit Source
ΔfusH° 27.18 kJ/mol Joback Calculated Property
logPoct/wat 4.216 Crippen Calculated Property
McVol 194.950 ml/mol McGowan Calculated Property
Inp [1977.00; 1977.00]   Show Hide
Inp 1977.00 NIST
Inp 1977.00 NIST
Tboil 607.58 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 [521.94; 604.99] J/mol×K [688.90; 917.92] Show Hide
Cp,gas 521.94 J/mol×K 688.90 Joback Calculated Property
Cp,gas 538.77 J/mol×K 727.07 Joback Calculated Property
Cp,gas 554.36 J/mol×K 765.24 Joback Calculated Property
Cp,gas 568.74 J/mol×K 803.41 Joback Calculated Property
Cp,gas 581.96 J/mol×K 841.58 Joback Calculated Property
Cp,gas 594.03 J/mol×K 879.75 Joback Calculated Property
Cp,gas 604.99 J/mol×K 917.92 Joback Calculated Property

Similar Compounds

3-Chloro-2-fluorobenzoic acid, 2-ethylhexyl ester. 3-Chloro-2-fluorobenzoic acid, 2-methylpentyl ester. 3-Chloro-2-fluorobenzoic acid, isohexyl ester. 3-Chloro-2-fluorobenzoic acid, 2-methylbutyl ester. 3-Chloro-2-fluorobenzoic acid, decyl ester. 3-Chloro-2-fluorobenzoic acid, tridecyl ester. 3-Chloro-2-fluorobenzoic acid, octyl ester. 3-Chloro-2-fluorobenzoic acid, dodecyl ester. 3-Chloro-2-fluorobenzoic acid, heptyl ester. 3-Chloro-2-fluorobenzoic acid, nonyl ester. 3-Chloro-2-fluorobenzoic acid, undecyl ester. 3-Chloro-2-fluorobenzoic acid, tetradecyl ester. 3-Chloro-2-fluorobenzoic acid, hexyl ester. 1,5-Pentanediol, O,O'-bis(3-chloro-2-fluorobenzoyl)-. 3-Chloro-2-fluorobenzoic acid, pentyl ester.

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

Sources

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