Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-chlorophenyl ester

Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-chlorophenyl ester

InChI
InChI=1S/C14H14ClF3O4/c1-9(14(16,17)18)21-12(19)7-4-8-13(20)22-11-6-3-2-5-10(11)15/h2-3,5-6,9H,4,7-8H2,1H3
InChI Key
CANRIWLSFABURK-UHFFFAOYSA-N
Formula
C14H14ClF3O4
SMILES
CC(OC(=O)CCCC(=O)Oc1ccccc1Cl)C(F)(F)F
Molecular Weight1
338.71
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Physical Properties

Property Value Unit Source
ΔfusH° 36.91 kJ/mol Joback Calculated Property
IE 9.02 eV Relay (1.0) Calculated Property
log10WS -3.88 Relay (1.0) Calculated Property
logPoct/wat 3.910 Crippen Calculated Property
McVol 216.790 ml/mol McGowan Calculated Property
Inp [1786.00; 1786.00]   Show Hide
Inp 1786.00 NIST
Inp 1786.00 NIST
Tfus 310.24 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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 [316.67; 667.74] 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 A2.63830e+01
Coefficient B1.25972e+00
Coefficient C-7.57360e-04
Coefficient D1.39000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 316.67 J/mol×K 273.00 Calculated Property
Cp,gas 383.41 J/mol×K 353.78 Calculated Property
Cp,gas 442.19 J/mol×K 434.56 Calculated Property
Cp,gas 493.45 J/mol×K 515.33 Calculated Property
Cp,gas 537.63 J/mol×K 596.11 Calculated Property
Cp,gas 575.18 J/mol×K 676.89 Calculated Property
Cp,gas 606.52 J/mol×K 757.67 Calculated Property
Cp,gas 632.10 J/mol×K 838.44 Calculated Property
Cp,gas 652.36 J/mol×K 919.22 Calculated Property
Cp,gas 667.74 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,4-dichlorophenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,3-dichlorophenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,5-dichlorophenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,6-dichlorophenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-chlorophenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 2-chlorophenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,3,5-trichlorophenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,4,5-trichlorophenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 2,4-dichlorophenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-chloro-5-methylphenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-chloro-6-fluorophenyl ester. Glutaric acid, but-3-yn-2-yl 2-chlorophenyl ester. Succinic acid, 2,3-dichlorophenyl 1,1,1-trifluoroprop-2-yl ester. Glutaric acid, 2-chlorophenyl ethyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,4-dichloro-1-naphthyl ester.

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-chlorophenyl ester.

Sources

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