Chemical Properties of Glutaric acid, 3-methylbut-2-yl 3-fluorophenyl ester

Glutaric acid, 3-methylbut-2-yl 3-fluorophenyl ester

InChI
InChI=1S/C16H21FO4/c1-11(2)12(3)20-15(18)8-5-9-16(19)21-14-7-4-6-13(17)10-14/h4,6-7,10-12H,5,8-9H2,1-3H3
InChI Key
LLQCVIDSEBTKIO-UHFFFAOYSA-N
Formula
C16H21FO4
SMILES
CC(C)C(C)OC(=O)CCCC(=O)Oc1cccc(F)c1
Molecular Weight1
296.33
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Physical Properties

Property Value Unit Source
ΔfusH° 35.62 kJ/mol Joback Calculated Property
logPoct/wat 3.489 Crippen Calculated Property
McVol 229.190 ml/mol McGowan Calculated Property
Inp [1924.00; 1924.00]   Show Hide
Inp 1924.00 NIST
Inp 1924.00 NIST
Tboil 588.97 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [330.44; 747.58] 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 A2.22830e+01
Coefficient B1.29946e+00
Coefficient C-6.44360e-04
Coefficient D7.02000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 330.44 J/mol×K 273.00 Calculated Property
Cp,gas 404.46 J/mol×K 353.78 Calculated Property
Cp,gas 471.05 J/mol×K 434.56 Calculated Property
Cp,gas 530.42 J/mol×K 515.33 Calculated Property
Cp,gas 582.80 J/mol×K 596.11 Calculated Property
Cp,gas 628.41 J/mol×K 676.89 Calculated Property
Cp,gas 667.47 J/mol×K 757.67 Calculated Property
Cp,gas 700.21 J/mol×K 838.44 Calculated Property
Cp,gas 726.84 J/mol×K 919.22 Calculated Property
Cp,gas 747.58 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 2-methylpent-3-yl 3-fluorophenyl ester. Glutaric acid, 2-fluorophenyl 3-methylbut-2-yl ester. Glutaric acid, 3-methylbut-2-yl 2,3,4-trifluorophenyl ester. Glutaric acid, 2-fluorophenyl 2,4-dimethylpent-3-yl ester. Succinic acid, 3-methylbut-2-yl 3-fluorophenyl ester. Glutaric acid, dec-2-yl 3-fluorophenyl ester. Glutaric acid, hept-2-yl 3-fluorophenyl ester. Glutaric acid, 3-methylbut-2-yl 4-fluoro-2-methoxyphenyl ester. Glutaric acid, 3-methylbut-2-yl 3-chlorophenyl ester. Glutaric acid, 3-fluorophenyl isobutyl ester. Glutaric acid, 3-methylbut-2-yl 4-cyanophenyl ester. Succinic acid, 2-methylpent-3-yl 3-fluorophenyl ester. Glutaric acid, 2-methylpent-3-yl 2,3,4-trifluorophenyl ester. Glutaric acid, 2-fluorophenyl 2-methylhex-3-yl ester. Glutaric acid, 3-methylbut-2-yl 4-bromophenyl ester.

Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 3-fluorophenyl ester.

Sources

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