Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl 2-methylphenyl ester

Succinic acid, 1,1,1-trifluoroprop-2-yl 2-methylphenyl ester

InChI
InChI=1S/C14H15F3O4/c1-9-5-3-4-6-11(9)21-13(19)8-7-12(18)20-10(2)14(15,16)17/h3-6,10H,7-8H2,1-2H3
InChI Key
MZFBFCAKLFZHKB-UHFFFAOYSA-N
Formula
C14H15F3O4
SMILES
Cc1ccccc1OC(=O)CCC(=O)OC(C)C(F)(F)F
Molecular Weight1
304.26
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Physical Properties

Property Value Unit Source
ΔfusH° 32.71 kJ/mol Joback Calculated Property
IE 8.89 eV Relay (1.0) Calculated Property
logPoct/wat 3.175 Crippen Calculated Property
McVol 204.550 ml/mol McGowan Calculated Property
Inp [1652.00; 1652.00]   Show Hide
Inp 1652.00 NIST
Inp 1652.00 NIST
Tboil 547.16 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, 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 [303.26; 659.47] 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 A1.34920e+01
Coefficient B1.25294e+00
Coefficient C-7.36960e-04
Coefficient D1.30000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 303.26 J/mol×K 273.00 Calculated Property
Cp,gas 370.27 J/mol×K 353.78 Calculated Property
Cp,gas 429.47 J/mol×K 434.56 Calculated Property
Cp,gas 481.25 J/mol×K 515.33 Calculated Property
Cp,gas 526.04 J/mol×K 596.11 Calculated Property
Cp,gas 564.25 J/mol×K 676.89 Calculated Property
Cp,gas 596.29 J/mol×K 757.67 Calculated Property
Cp,gas 622.56 J/mol×K 838.44 Calculated Property
Cp,gas 643.49 J/mol×K 919.22 Calculated Property
Cp,gas 659.47 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, 1,1,1-trifluoroprop-2-yl 2,3-dimethylphenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 4-chloro-2-methylphenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-methylphenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 2-ethylphenyl ester. Succinic acid, 3-methylbut-2-yl 2-methylphenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-methyl-4-chlorophenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,3-dimethylphenyl ester. Succinic acid, 2-methylphenyl 2-chloroethyl ester. Succinic acid, but-3-yn-2-yl 2,3-dimethylphenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-methylphenyl ester. Succinic acid, 2-methylphenyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-ethylphenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-formylphenyl ester. Succinic acid, 2-methylpent-3-yl 2-methylphenyl ester. Succinic acid, 2-methylphenyl 2-ethoxyethyl ester.

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl 2-methylphenyl ester.

Sources

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