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

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

InChI
InChI=1S/C12H14ClFO2/c1-8(2)6-7-16-12(15)9-4-3-5-10(13)11(9)14/h3-5,8H,6-7H2,1-2H3
InChI Key
HLTSQLSXYFNBDL-UHFFFAOYSA-N
Formula
C12H14ClFO2
SMILES
CC(C)CCOC(=O)c1cccc(Cl)c1F
Molecular Weight1
244.69
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Physical Properties

Property Value Unit Source
ΔfH°gas -578.47 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 28.22 kJ/mol Joback Calculated Property
ΔvapH° 72.26 kJ/mol Relay (1.0) Calculated Property
log10WS -4.77 Relay (1.0) Calculated Property
logPoct/wat 3.682 Crippen Calculated Property
McVol 177.630 ml/mol McGowan Calculated Property
Pc 2187.68 kPa Joback Calculated Property
Inp [1653.00; 1653.00]   Show Hide
Inp 1653.00 NIST
Inp 1653.00 NIST
Tboil 547.93 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Volume, 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 [425.11; 495.73] J/mol×K [605.28; 809.53] Show Hide
Cp,gas 425.11 J/mol×K 605.28 Joback Calculated Property
Cp,gas 438.85 J/mol×K 639.32 Joback Calculated Property
Cp,gas 451.78 J/mol×K 673.36 Joback Calculated Property
Cp,gas 463.91 J/mol×K 707.41 Joback Calculated Property
Cp,gas 475.28 J/mol×K 741.45 Joback Calculated Property
Cp,gas 485.87 J/mol×K 775.49 Joback Calculated Property
Cp,gas 495.73 J/mol×K 809.53 Joback Calculated Property

Similar Compounds

3-Chloro-2-fluorobenzoic acid, butyl ester. 3-Chloro-2-fluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Chloro-2-fluorobenzoic acid, isohexyl ester. 3-Chloro-2-fluorobenzoic acid, 2-methylbutyl ester. 3-Chloro-2-fluorobenzoic acid, pentyl ester. 3-Chloro-2-fluorobenzoic acid, hexyl ester. 1,5-Pentanediol, O,O'-bis(3-chloro-2-fluorobenzoyl)-. 3-Chloro-2-fluorobenzoic acid, nonyl ester. 3-Chloro-2-fluorobenzoic acid, tetradecyl ester. 3-Chloro-2-fluorobenzoic acid, heptyl ester. 3-Chloro-2-fluorobenzoic acid, decyl ester. 3-Chloro-2-fluorobenzoic acid, tridecyl ester. 3-Chloro-2-fluorobenzoic acid, dodecyl ester. 3-Chloro-2-fluorobenzoic acid, octyl ester. 3-Chloro-2-fluorobenzoic acid, undecyl ester.

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

Sources

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