Chemical Properties of Succinic acid, 2-methylphenyl pentafluorobenzyl ester

Succinic acid, 2-methylphenyl pentafluorobenzyl ester

InChI
InChI=1S/C18H13F5O4/c1-9-4-2-3-5-11(9)27-13(25)7-6-12(24)26-8-10-14(19)16(21)18(23)17(22)15(10)20/h2-5H,6-8H2,1H3
InChI Key
JSHPWMWQVGZDRX-UHFFFAOYSA-N
Formula
C18H13F5O4
SMILES
Cc1ccccc1OC(=O)CCC(=O)OCc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
388.29
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Physical Properties

Property Value Unit Source
ΔfusH° 52.26 kJ/mol Joback Calculated Property
IE 8.64 eV Relay (1.0) Calculated Property
logPoct/wat 4.120 Crippen Calculated Property
McVol 240.690 ml/mol McGowan Calculated Property
Inp [2231.00; 2231.00]   Show Hide
Inp 2231.00 NIST
Inp 2231.00 NIST
Tboil 621.14 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 [361.79; 744.24] 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 A8.57830e+01
Coefficient B1.14842e+00
Coefficient C-5.08360e-04
Coefficient D1.84000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 361.79 J/mol×K 273.00 Calculated Property
Cp,gas 429.26 J/mol×K 353.78 Calculated Property
Cp,gas 490.35 J/mol×K 434.56 Calculated Property
Cp,gas 545.12 J/mol×K 515.33 Calculated Property
Cp,gas 593.62 J/mol×K 596.11 Calculated Property
Cp,gas 635.92 J/mol×K 676.89 Calculated Property
Cp,gas 672.08 J/mol×K 757.67 Calculated Property
Cp,gas 702.14 J/mol×K 838.44 Calculated Property
Cp,gas 726.18 J/mol×K 919.22 Calculated Property
Cp,gas 744.24 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, 3,4-dimethylphenyl pentafluorobenzyl ester. MCPB, PFB. Succinic acid, 4-chloro-3-methylphenyl pentafluorobenzyl ester. Succinic acid, phenyl pentafluorobenzyl ester. Succinic acid, 3,5-dimethylphenyl pentafluorobenzyl ester. Succinic acid, 4-isopropylphenyl pentafluorobenzyl ester. Succinic acid, 3-chlorophenyl pentafluorobenzyl ester. Succinic acid, 2-chlorophenyl pentafluorobenzyl ester. Succinic acid, 2-isopropoxyphenyl pentafluorobenzyl ester. Glutaric acid, 3-chlorophenyl pentafluorobenzyl ester. Succinic acid, 2-bromo-4-fluorophenyl pentafluorobenzyl ester. Succinic acid, 2,3-dichlorophenyl pentafluorobenzyl ester. Glutaric acid, 2-fluorophenyl pentafluorobenzyl ester. Succinic acid, naphth-2-ylmethyl 2,3-dimethylphenyl ester. 2,4-DB, PFB.

Find more compounds similar to Succinic acid, 2-methylphenyl pentafluorobenzyl ester.

Sources

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