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

3-Chloro-2-fluorobenzoic acid, 4-methoxy-2-methylbutyl ester

InChI
InChI=1S/C13H16ClFO3/c1-9(6-7-17-2)8-18-13(16)10-4-3-5-11(14)12(10)15/h3-5,9H,6-8H2,1-2H3
InChI Key
SGMQPTHYGIDLIJ-UHFFFAOYSA-N
Formula
C13H16ClFO3
SMILES
COCCC(C)COC(=O)c1cccc(Cl)c1F
Molecular Weight1
274.72
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Physical Properties

Property Value Unit Source
ΔfusH° 32.00 kJ/mol Joback Calculated Property
log10WS -3.89 Relay (1.0) Calculated Property
logPoct/wat 3.308 Crippen Calculated Property
McVol 197.590 ml/mol McGowan Calculated Property
Inp 1868.00 NIST
Tboil 582.40 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 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [282.14; 607.89] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A5.39730e+01
Coefficient B9.47440e-01
Coefficient C-4.14920e-04
Coefficient D2.14000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 282.14 J/mol×K 273.00 Calculated Property
Cp,gas 338.17 J/mol×K 353.78 Calculated Property
Cp,gas 389.09 J/mol×K 434.56 Calculated Property
Cp,gas 434.96 J/mol×K 515.33 Calculated Property
Cp,gas 475.84 J/mol×K 596.11 Calculated Property
Cp,gas 511.81 J/mol×K 676.89 Calculated Property
Cp,gas 542.94 J/mol×K 757.67 Calculated Property
Cp,gas 569.28 J/mol×K 838.44 Calculated Property
Cp,gas 590.91 J/mol×K 919.22 Calculated Property
Cp,gas 607.89 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Chloro-2-fluorobenzoic acid, 2-methylbutyl ester. 3-Chloro-2-fluorobenzoic acid, 3-methylbutyl ester. 3-Chloro-2-fluorobenzoic acid, 2-methylpentyl ester. 3-Chloro-2-fluorobenzoic acid, butyl ester. 3-Chloro-2-fluorobenzoic acid, isohexyl ester. 3-Chloro-2-fluorobenzoic acid, 2-ethylhexyl ester. 2,4-Difluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Chloro-2-fluorobenzoic acid, cyclohexylmethyl ester. 3-Chloro-2-fluorobenzoic acid, pentyl ester. 3-Chloro-2-fluorobenzoic acid, hexyl ester. 3-Chloro-2-fluorobenzoic acid, tridecyl 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, decyl ester.

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

Sources

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