Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl 4-cyanophenyl ester

Succinic acid, 1,1,1-trifluoroprop-2-yl 4-cyanophenyl ester

InChI
InChI=1S/C14H12F3NO4/c1-9(14(15,16)17)21-12(19)6-7-13(20)22-11-4-2-10(8-18)3-5-11/h2-5,9H,6-7H2,1H3
InChI Key
KDBJGXDZRMNORF-UHFFFAOYSA-N
Formula
C14H12F3NO4
SMILES
CC(OC(=O)CCC(=O)Oc1ccc(C#N)cc1)C(F)(F)F
Molecular Weight1
315.24
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Physical Properties

Property Value Unit Source
ΔfusH° 34.21 kJ/mol Joback Calculated Property
IE 9.54 eV Relay (1.0) Calculated Property
logPoct/wat 2.738 Crippen Calculated Property
McVol 205.930 ml/mol McGowan Calculated Property
Inp [1912.00; 1912.00]   Show Hide
Inp 1912.00 NIST
Inp 1912.00 NIST
Tboil 592.54 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 [304.64; 635.95] 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 A3.04920e+01
Coefficient B1.18772e+00
Coefficient C-7.05960e-04
Coefficient D1.23700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 304.64 J/mol×K 273.00 Calculated Property
Cp,gas 367.80 J/mol×K 353.78 Calculated Property
Cp,gas 423.46 J/mol×K 434.56 Calculated Property
Cp,gas 472.01 J/mol×K 515.33 Calculated Property
Cp,gas 513.85 J/mol×K 596.11 Calculated Property
Cp,gas 549.35 J/mol×K 676.89 Calculated Property
Cp,gas 578.93 J/mol×K 757.67 Calculated Property
Cp,gas 602.96 J/mol×K 838.44 Calculated Property
Cp,gas 621.84 J/mol×K 919.22 Calculated Property
Cp,gas 635.95 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-cyanophenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 3-methoxyphenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 4-bromophenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 2-methoxyphenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 3-fluorophenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 3-chlorophenyl ester. Succinic acid, 2,2,3,3-tetrafluoropropyl 4-cyanophenyl ester. Succinic acid, 3-methylbut-2-yl 4-cyanophenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 2-methylphenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 4-biphenyl ester. Succinic acid, 2-chloroethyl 4-cyanophenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 2-fluorophenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 2-methoxy-5-methylphenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 2-isopropoxyphenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 2-chlorophenyl ester.

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl 4-cyanophenyl ester.

Sources

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