Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl isopropyl ester

Glutaric acid, 2-chloro-6-fluorophenyl isopropyl ester

InChI
InChI=1S/C14H16ClFO4/c1-9(2)19-12(17)7-4-8-13(18)20-14-10(15)5-3-6-11(14)16/h3,5-6,9H,4,7-8H2,1-2H3
InChI Key
ODXBTPXPFAMCRM-UHFFFAOYSA-N
Formula
C14H16ClFO4
SMILES
CC(C)OC(=O)CCCC(=O)Oc1c(F)cccc1Cl
Molecular Weight1
302.73
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Physical Properties

Property Value Unit Source
ΔfH°gas -915.94 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 37.77 kJ/mol Joback Calculated Property
ΔvapH° 86.09 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.506 Crippen Calculated Property
McVol 213.250 ml/mol McGowan Calculated Property
Inp [1890.00; 1890.00]   Show Hide
Inp 1890.00 NIST
Inp 1890.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [304.28; 649.09] 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 A5.29730e+01
Coefficient B1.05084e+00
Coefficient C-4.85720e-04
Coefficient D3.10000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 304.28 J/mol×K 273.00 Calculated Property
Cp,gas 365.32 J/mol×K 353.78 Calculated Property
Cp,gas 420.44 J/mol×K 434.56 Calculated Property
Cp,gas 469.76 J/mol×K 515.33 Calculated Property
Cp,gas 513.36 J/mol×K 596.11 Calculated Property
Cp,gas 551.34 J/mol×K 676.89 Calculated Property
Cp,gas 583.81 J/mol×K 757.67 Calculated Property
Cp,gas 610.86 J/mol×K 838.44 Calculated Property
Cp,gas 632.59 J/mol×K 919.22 Calculated Property
Cp,gas 649.09 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, but-3-yn-2-yl 2-chloro-6-fluorophenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-chloro-6-fluorophenyl ester. Glutaric acid, but-3-en-2-yl 2-chloro-6-fluorophenyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2-pentyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2-fluoroethyl ester. Glutaric acid, 3-methylbut-2-yl 2-chloro-6-fluorophenyl ester. Glutaric acid, cyclopentyl 2-chloro-6-fluorophenyl ester. Glutaric acid, 2,2-dichloroethyl 2-chloro-6-fluorophenyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2-hexyl ester. Glutaric acid, 2-chloro-6-fluorophenyl isobutyl ester. Glutaric acid, 2-chloro-6-fluorophenyl neopentyl ester. Glutaric acid, 2-chloro-6-fluorophenyl hexyl ester. Glutaric acid, hept-2-yl 2-chloro-6-fluorophenyl ester. Glutaric acid, 2-chloro-6-fluorophenyl hept-4-yl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2-decyl ester.

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl isopropyl ester.

Sources

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