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

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

InChI
InChI=1S/C12H14ClFO2/c1-7(2)8(3)16-12(15)9-5-4-6-10(13)11(9)14/h4-8H,1-3H3
InChI Key
FPBCBFOPARLNPO-UHFFFAOYSA-N
Formula
C12H14ClFO2
SMILES
CC(C)C(C)OC(=O)c1cccc(Cl)c1F
Molecular Weight1
244.69
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Physical Properties

Property Value Unit Source
Δfus 24.70 kJ/mol Joback Calculated Property
logPoct/wat 3.680 Crippen Calculated Property
McVol 177.630 ml/mol McGowan Calculated Property
Inp [1589.00; 1589.00]   Show Hide
Inp 1589.00 NIST
Inp 1589.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [425.55; 497.49] J/mol×K [604.84; 813.18] Show Hide
Cp,gas 425.55 J/mol×K 604.84 Joback Calculated Property
Cp,gas 439.61 J/mol×K 639.56 Joback Calculated Property
Cp,gas 452.82 J/mol×K 674.29 Joback Calculated Property
Cp,gas 465.19 J/mol×K 709.01 Joback Calculated Property
Cp,gas 476.75 J/mol×K 743.73 Joback Calculated Property
Cp,gas 487.51 J/mol×K 778.45 Joback Calculated Property
Cp,gas 497.49 J/mol×K 813.18 Joback Calculated Property

Similar Compounds

3-Chloro-2-fluorobenzoic acid, 2-pentyl ester. 3-Chloro-2-fluorobenzoic acid, 2-methylbutyl ester. 2-Fluorobenzoic acid, 3-methylbut-2-yl ester. 3-Chloro-2-fluorobenzoic acid, isobutyl ester. 3-Chloro2-fluorobenzoic acid, 2-tetradecyl ester. 3-Chloro2-fluorobenzoic acid, 2-tridecyl ester. 3-Chloro2-fluorobenzoic acid, 3-hexadecyl ester. 3-Chloro2-fluorobenzoic acid, 3-tetradecyl ester. 3-Chloro2-fluorobenzoic acid, 3-pentadecyl ester. 3-Chloro2-fluorobenzoic acid, 3-tridecyl ester. 3-Chloro2-fluorobenzoic acid, 3-dodecyl ester. 3-Chloro2-fluorobenzoic acid, 4-pentadecyl ester. 3-Chloro2-fluorobenzoic acid, 5-tetradecyl ester. 3-Chloro2-fluorobenzoic acid, 5-dodecyl ester. 3-Chloro2-fluorobenzoic acid, 6-dodecyl ester.

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

Sources

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