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

3-Chloro-2-fluorobenzoic acid, neopentyl ester

InChI
InChI=1S/C12H14ClFO2/c1-12(2,3)7-16-11(15)8-5-4-6-9(13)10(8)14/h4-6H,7H2,1-3H3
InChI Key
RNIWQEWNUXFRAW-UHFFFAOYSA-N
Formula
C12H14ClFO2
SMILES
CC(C)(C)COC(=O)c1cccc(Cl)c1F
Molecular Weight1
244.69
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Physical Properties

Property Value Unit Source
ΔfusH° 22.75 kJ/mol Joback Calculated Property
logPoct/wat 3.682 Crippen Calculated Property
McVol 177.630 ml/mol McGowan Calculated Property
Inp [1561.00; 1561.00]   Show Hide
Inp 1561.00 NIST
Inp 1561.00 NIST
Tboil 541.30 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 [432.07; 501.99] J/mol×K [620.36; 834.35] Show Hide
Cp,gas 432.07 J/mol×K 620.36 Joback Calculated Property
Cp,gas 445.82 J/mol×K 656.02 Joback Calculated Property
Cp,gas 458.69 J/mol×K 691.69 Joback Calculated Property
Cp,gas 470.71 J/mol×K 727.35 Joback Calculated Property
Cp,gas 481.91 J/mol×K 763.02 Joback Calculated Property
Cp,gas 492.33 J/mol×K 798.68 Joback Calculated Property
Cp,gas 501.99 J/mol×K 834.35 Joback Calculated Property

Similar Compounds

3-Chloro-2-fluorobenzoic acid, isobutyl ester. 3-Chloro-2-fluorobenzoic acid, propyl ester. 3-Chloro-2-fluorobenzoic acid, butyl ester. 3-Chloro-2-fluorobenzoic acid, 2-methylbutyl ester. 3-Chloro-2-fluorobenzoic acid, ethyl ester. 3-Chloro-2-fluorobenzoic acid, 2,2,2-trichloroethyl ester. 3-Chloro-2-fluorobenzoic acid, 3-methylbutyl ester. 3-Chloro-2-fluorobenzoic acid, pentyl ester. 1,5-Pentanediol, O,O'-bis(3-chloro-2-fluorobenzoyl)-. 3-Chloro-2-fluorobenzoic acid, 3-methylbutyl-2 ester. 3-Chloro-2-fluorobenzoic acid, 2-chloroethyl ester. 3-Chloro-2-fluorobenzoic acid, isopropyl ester. 3-Chloro-2-fluorobenzoic acid, hexyl ester. 3-Chloro-2-fluorobenzoic acid, tetradecyl ester. 3-Chloro-2-fluorobenzoic acid, octyl ester.

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

Sources

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