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

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

InChI
InChI=1S/C17H23FO4/c1-4-15(12(2)3)22-17(20)10-6-9-16(19)21-14-8-5-7-13(18)11-14/h5,7-8,11-12,15H,4,6,9-10H2,1-3H3
InChI Key
SKRJFJRKCGFYEN-UHFFFAOYSA-N
Formula
C17H23FO4
SMILES
CCC(OC(=O)CCCC(=O)Oc1cccc(F)c1)C(C)C
Molecular Weight1
310.36
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Physical Properties

Property Value Unit Source
ΔfusH° 38.21 kJ/mol Joback Calculated Property
logPoct/wat 3.879 Crippen Calculated Property
McVol 243.280 ml/mol McGowan Calculated Property
Inp [1986.00; 1986.00]   Show Hide
Inp 1986.00 NIST
Inp 1986.00 NIST
Tboil 604.41 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 [351.65; 799.17] 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 A2.13740e+01
Coefficient B1.39446e+00
Coefficient C-6.98760e-04
Coefficient D8.21000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 351.65 J/mol×K 273.00 Calculated Property
Cp,gas 430.88 J/mol×K 353.78 Calculated Property
Cp,gas 502.13 J/mol×K 434.56 Calculated Property
Cp,gas 565.65 J/mol×K 515.33 Calculated Property
Cp,gas 621.71 J/mol×K 596.11 Calculated Property
Cp,gas 670.57 J/mol×K 676.89 Calculated Property
Cp,gas 712.49 J/mol×K 757.67 Calculated Property
Cp,gas 747.72 J/mol×K 838.44 Calculated Property
Cp,gas 776.53 J/mol×K 919.22 Calculated Property
Cp,gas 799.17 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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