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

Succinic acid, 1,1,1-trifluoroprop-2-yl 4-bromo-2-methoxyphenyl ester

InChI
InChI=1S/C14H14BrF3O5/c1-8(14(16,17)18)22-12(19)5-6-13(20)23-10-4-3-9(15)7-11(10)21-2/h3-4,7-8H,5-6H2,1-2H3
InChI Key
RCFPWYLMWCRPQU-UHFFFAOYSA-N
Formula
C14H14BrF3O5
SMILES
COc1cc(Br)ccc1OC(=O)CCC(=O)OC(C)C(F)(F)F
Molecular Weight1
399.16
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Physical Properties

Property Value Unit Source
ΔfusH° 38.79 kJ/mol Joback Calculated Property
logPoct/wat 3.637 Crippen Calculated Property
McVol 227.920 ml/mol McGowan Calculated Property
Inp [2049.00; 2049.00]   Show Hide
Inp 2049.00 NIST
Inp 2049.00 NIST
Tboil 601.70 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 [335.21; 684.00] 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 A6.14820e+01
Coefficient B1.16844e+00
Coefficient C-6.30320e-04
Coefficient D8.44000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 335.21 J/mol×K 273.00 Calculated Property
Cp,gas 399.70 J/mol×K 353.78 Calculated Property
Cp,gas 457.13 J/mol×K 434.56 Calculated Property
Cp,gas 507.78 J/mol×K 515.33 Calculated Property
Cp,gas 551.90 J/mol×K 596.11 Calculated Property
Cp,gas 589.76 J/mol×K 676.89 Calculated Property
Cp,gas 621.64 J/mol×K 757.67 Calculated Property
Cp,gas 647.79 J/mol×K 838.44 Calculated Property
Cp,gas 668.49 J/mol×K 919.22 Calculated Property
Cp,gas 684.00 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-bromo-2-methoxyphenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 2-methoxyphenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 4-chloro-2-methoxyphenyl ester. Succinic acid, 2,2,3,3-tetrafluoropropyl 4-bromo-2-methoxyphenyl ester. Succinic acid, 3-methylbut-2-yl 4-bromo-2-methoxyphenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 2-isopropoxyphenyl ester. Succinic acid, 2-methylpent-3-yl 4-bromo-2-methoxyphenyl ester. Glutaric acid, but-3-yn-2-yl 4-bromo-2-methoxyphenyl ester. Succinic acid, hex-4-yn-3-yl 4-bromo-2-methoxyphenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 4-bromophenyl ester. Succinic acid, 2,2-dichloroethyl 4-bromo-2-methoxyphenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 2-methoxy-5-methylphenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-methoxyphenyl ester. Succinic acid, hept-2-yl 4-bromo-2-methoxyphenyl ester. Succinic acid, 3-methylbut-2-en-1-yl 4-bromo-2-methoxyphenyl ester.

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

Sources

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