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

3-Chloro-2-fluorobenzoic acid, isobutyl ester

InChI
InChI=1S/C11H12ClFO2/c1-7(2)6-15-11(14)8-4-3-5-9(12)10(8)13/h3-5,7H,6H2,1-2H3
InChI Key
GWOJLUGHIBLUHF-UHFFFAOYSA-N
Formula
C11H12ClFO2
SMILES
CC(C)COC(=O)c1cccc(Cl)c1F
Molecular Weight1
230.67
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Physical Properties

Property Value Unit Source
ΔfusH° 25.63 kJ/mol Joback Calculated Property
log10WS -4.38 Relay (1.0) Calculated Property
logPoct/wat 3.292 Crippen Calculated Property
McVol 163.540 ml/mol McGowan Calculated Property
Inp [1536.00; 1536.00]   Show Hide
Inp 1536.00 NIST
Inp 1536.00 NIST
Tboil 535.57 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 [224.30; 486.21] 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 A3.02910e+01
Coefficient B8.20640e-01
Coefficient C-4.17120e-04
Coefficient D5.24000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 224.30 J/mol×K 273.00 Calculated Property
Cp,gas 270.73 J/mol×K 353.78 Calculated Property
Cp,gas 312.44 J/mol×K 434.56 Calculated Property
Cp,gas 349.59 J/mol×K 515.33 Calculated Property
Cp,gas 382.36 J/mol×K 596.11 Calculated Property
Cp,gas 410.91 J/mol×K 676.89 Calculated Property
Cp,gas 435.40 J/mol×K 757.67 Calculated Property
Cp,gas 456.01 J/mol×K 838.44 Calculated Property
Cp,gas 472.89 J/mol×K 919.22 Calculated Property
Cp,gas 486.21 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Chloro-2-fluorobenzoic acid, neopentyl ester. 3-Chloro-2-fluorobenzoic acid, propyl ester. 3-Chloro-2-fluorobenzoic acid, 2-methylbutyl ester. 3-Chloro-2-fluorobenzoic acid, butyl ester. 3-Chloro-2-fluorobenzoic acid, 3-methylbutyl-2 ester. 3-Chloro-2-fluorobenzoic acid, 3-methylbutyl ester. 3-Chloro-2-fluorobenzoic acid, ethyl ester. 3-Chloro-2-fluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Chloro-2-fluorobenzoic acid, 2-methylpentyl ester. 3-Chloro-2-fluorobenzoic acid, pentyl ester. 3-Chloro-2-fluorobenzoic acid, isopropyl ester. 1,5-Pentanediol, O,O'-bis(3-chloro-2-fluorobenzoyl)-. 3-Chloro-2-fluorobenzoic acid, hexyl ester. 3-Chloro-2-fluorobenzoic acid, decyl ester. 3-Chloro-2-fluorobenzoic acid, tridecyl ester.

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

Sources

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