Chemical Properties of 3-Phenylpropionic acid, pentafluorophenyl ester

3-Phenylpropionic acid, pentafluorophenyl ester

InChI
InChI=1S/C15H9F5O2/c16-10-11(17)13(19)15(14(20)12(10)18)22-9(21)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key
MPTBVJWRSCFIGU-UHFFFAOYSA-N
Formula
C15H9F5O2
SMILES
O=C(CCc1ccccc1)Oc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
316.22
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Physical Properties

Property Value Unit Source
ΔfusH° 40.51 kJ/mol Joback Calculated Property
ΔvapH° 82.14 kJ/mol Relay (1.0) Calculated Property
IE 8.81 eV Relay (1.0) Calculated Property
log10WS -5.96 Relay (1.0) Calculated Property
logPoct/wat 3.920 Crippen Calculated Property
McVol 190.980 ml/mol McGowan Calculated Property
Pc 1905.24 kPa Joback Calculated Property
Tboil 556.18 K Relay (1.0) Calculated Property
Tfus 291.65 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [497.98; 558.35] J/mol×K [675.63; 869.75] Show Hide
Cp,gas 497.98 J/mol×K 675.63 Joback Calculated Property
Cp,gas 509.93 J/mol×K 707.98 Joback Calculated Property
Cp,gas 521.11 J/mol×K 740.34 Joback Calculated Property
Cp,gas 531.53 J/mol×K 772.69 Joback Calculated Property
Cp,gas 541.20 J/mol×K 805.05 Joback Calculated Property
Cp,gas 550.13 J/mol×K 837.40 Joback Calculated Property
Cp,gas 558.35 J/mol×K 869.75 Joback Calculated Property

Similar Compounds

3-Phenylpropionic acid. 3,5-difluorophenyl ester. 4-Chlorophenyl-«beta»-phenylpropionate. 3-Phenylpropionic acid, phenyl ester. 3-Phenylpropionic acid, 4-methoxyphenyl ester. 3-Phenylpropionic acid, 3,4-dichlorophenyl ester. 3-Phenylpropionic acid, 4-cyanophenyl ester. 3-Phenylpropionic acid, 3,5-dimethylphenyl ester. 3-Phenylpropionic acid, 2,3,4,6-tetrachlorophenyl ester. 3-Phenylpropionic acid, 2,4,5-trichlorophenyl ester. 3-Phenylpropionic acid, 2- naphthyl ester. 3-Phenylpropionic acid, 4-benzyloxyphenyl ester. 3-Phenylpropionic acid, 3-methylphenyl ester. 3-Phenylpropionic acid, 3-ethylphenyl ester. 3-Phenylpropionic acid, 4-biphenyl ester. 3-Phenylpropionic acid, 2-methylphenyl ester.

Find more compounds similar to 3-Phenylpropionic acid, pentafluorophenyl ester.

Sources

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