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° 30.42 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [505.07; 576.24] J/mol×K [668.45; 870.17] Show Hide
Cp,gas 505.07 J/mol×K 668.45 Joback Calculated Property
Cp,gas 518.90 J/mol×K 702.07 Joback Calculated Property
Cp,gas 531.93 J/mol×K 735.69 Joback Calculated Property
Cp,gas 544.18 J/mol×K 769.31 Joback Calculated Property
Cp,gas 555.64 J/mol×K 802.93 Joback Calculated Property
Cp,gas 566.33 J/mol×K 836.55 Joback Calculated Property
Cp,gas 576.24 J/mol×K 870.17 Joback 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, decyl ester. 3-Chloro-2-fluorobenzoic acid, dodecyl ester. 3-Chloro-2-fluorobenzoic acid, octyl ester. 3-Chloro-2-fluorobenzoic acid, nonyl ester.

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

Sources

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