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

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

InChI
InChI=1S/C15H17F3O5/c1-10(15(16,17)18)23-14(20)8-7-13(19)22-9-11-3-5-12(21-2)6-4-11/h3-6,10H,7-9H2,1-2H3
InChI Key
HNCHDMOJDHTNGL-UHFFFAOYSA-N
Formula
C15H17F3O5
SMILES
COc1ccc(COC(=O)CCC(=O)OC(C)C(F)(F)F)cc1
Molecular Weight1
334.29
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Physical Properties

Property Value Unit Source
ΔfusH° 36.49 kJ/mol Joback Calculated Property
IE 8.61 eV Relay (1.0) Calculated Property
logPoct/wat 3.013 Crippen Calculated Property
McVol 224.510 ml/mol McGowan Calculated Property
Inp [1912.00; 1912.00]   Show Hide
Inp 1912.00 NIST
Inp 1912.00 NIST
Tboil 586.26 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 [339.88; 729.56] 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 A3.80830e+01
Coefficient B1.28474e+00
Coefficient C-6.80360e-04
Coefficient D8.71000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 339.88 J/mol×K 273.00 Calculated Property
Cp,gas 411.30 J/mol×K 353.78 Calculated Property
Cp,gas 475.04 J/mol×K 434.56 Calculated Property
Cp,gas 531.39 J/mol×K 515.33 Calculated Property
Cp,gas 580.62 J/mol×K 596.11 Calculated Property
Cp,gas 623.00 J/mol×K 676.89 Calculated Property
Cp,gas 658.80 J/mol×K 757.67 Calculated Property
Cp,gas 688.32 J/mol×K 838.44 Calculated Property
Cp,gas 711.81 J/mol×K 919.22 Calculated Property
Cp,gas 729.56 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-methoxybenzyl ester. Succinic acid, 2,2,3,3-tetrafluoropropyl 4-methoxybenzyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 4-chlorobenzyl ester. Succinic acid, di(4-methoxybenzyl) ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 3-phenoxybenzyl ester. Succinic acid, ethyl 4-trifluoromethoxybenzyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 2-naphthylmethyl ester. Succinic acid, dec-2-yl 4-methoxybenzyl ester. Succinic acid, butyl 4-trifluoromethoxybenzyl ester. Succinic acid, isobutyl 4-trifluoromethoxybenzyl ester. Glutaric acid, butyl 4-methoxybenzyl ester. Succinic acid, hexyl 4-trifluoromethoxybenzyl ester. Succinic acid, pentyl 4-trifluoromethoxybenzyl ester. Sebacic acid, ethyl 4-methoxybenzyl ester. Sebacic acid, 4-methoxybenzyl octyl ester.

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

Sources

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