Chemical Properties of 2,4-Dimethylphenol, pentafluorobenzoyl ester

2,4-Dimethylphenol, pentafluorobenzoyl ester

InChI
InChI=1S/C15H9F5O2/c1-6-3-4-8(7(2)5-6)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h3-5H,1-2H3
InChI Key
GABHPBJHQSKMKL-UHFFFAOYSA-N
Formula
C15H9F5O2
SMILES
Cc1ccc(OC(=O)c2c(F)c(F)c(F)c(F)c2F)c(C)c1
Molecular Weight1
316.22
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Physical Properties

Property Value Unit Source
ΔfusH° 39.73 kJ/mol Joback Calculated Property
IE 8.56 eV Relay (1.0) Calculated Property
logPoct/wat 4.218 Crippen Calculated Property
McVol 190.980 ml/mol McGowan Calculated Property
Inp [1655.60; 1661.00]   Show Hide
Inp 1655.60 NIST
Inp 1657.80 NIST
Inp 1661.00 NIST
Inp 1655.60 NIST
Tboil 567.87 K Relay (1.0) Calculated Property
Tc 803.01 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [495.75; 554.94] J/mol×K [685.59; 881.40] Show Hide
Cp,gas 495.75 J/mol×K 685.59 Joback Calculated Property
Cp,gas 507.42 J/mol×K 718.23 Joback Calculated Property
Cp,gas 518.37 J/mol×K 750.86 Joback Calculated Property
Cp,gas 528.59 J/mol×K 783.50 Joback Calculated Property
Cp,gas 538.09 J/mol×K 816.13 Joback Calculated Property
Cp,gas 546.87 J/mol×K 848.77 Joback Calculated Property
Cp,gas 554.94 J/mol×K 881.40 Joback Calculated Property

Similar Compounds

2-Methylphenol, pentafluorobenzoyl ester. Pentafluorobenzoic acid, 2,3-dimethylphenyl ester. 2,5-Dimethylphenol, pentafluorobenzoyl ester. 2,4,6-Trimethylphenol, pentafluorobenzoyl ester. 2,6-Dimethylphenol, pentafluorobenzoyl ester. 3,4-Dimethylphenol, pentafluorobenzoyl ester. 2,3,5-Trimethylphenol, pentafluorobenzoyl ester. 2,3,6-Trimethylphenol, pentafluorobenzoyl ester. 2-Ethylphenol, pentafluorobenzoyl ester. 4-Methylphenol, pentafluorobenzoyl ester. 2-tert-Butyl-4-methylphenol, pentafluorobenzoyl ester. 3-Methylphenol, pentafluorobenzoyl ester. 2,6-Difluorobenzoic acid, 2-methylphenyl ester. 4-Ethylphenol, pentafluorobenzoyl ester. 5-Isopropyl-2-methylphenyl 2,3,4,5,6-pentafluorobenzoate.

Find more compounds similar to 2,4-Dimethylphenol, pentafluorobenzoyl ester.

Sources

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