Chemical Properties of 2-Isopropylphenol, pentafluorobenzoyl ester

2-Isopropylphenol, pentafluorobenzoyl ester

InChI
InChI=1S/C16H11F5O2/c1-7(2)8-5-3-4-6-9(8)23-16(22)10-11(17)13(19)15(21)14(20)12(10)18/h3-7H,1-2H3
InChI Key
HFFGTHYNOHVNCV-UHFFFAOYSA-N
Formula
C16H11F5O2
SMILES
CC(C)c1ccccc1OC(=O)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
330.25
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Physical Properties

Property Value Unit Source
ΔfH°gas -1002.49 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 39.19 kJ/mol Joback Calculated Property
log10WS -6.83 Relay (1.0) Calculated Property
logPoct/wat 4.725 Crippen Calculated Property
McVol 205.070 ml/mol McGowan Calculated Property
Inp [1648.00; 1651.20]   Show Hide
Inp 1648.00 NIST
Inp 1649.30 NIST
Inp 1651.20 NIST
Inp 1648.00 NIST
Tfus 310.62 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [548.97; 612.02] J/mol×K [703.05; 899.27] Show Hide
Cp,gas 548.97 J/mol×K 703.05 Joback Calculated Property
Cp,gas 561.50 J/mol×K 735.75 Joback Calculated Property
Cp,gas 573.21 J/mol×K 768.46 Joback Calculated Property
Cp,gas 584.10 J/mol×K 801.16 Joback Calculated Property
Cp,gas 594.19 J/mol×K 833.86 Joback Calculated Property
Cp,gas 603.49 J/mol×K 866.57 Joback Calculated Property
Cp,gas 612.02 J/mol×K 899.27 Joback Calculated Property

Similar Compounds

2,6-Di-isopropylphenol, pentafluorobenzoyl ester. 2-Ethylphenol, pentafluorobenzoyl ester. 2-tert-Butylphenol, pentafluorobenzoyl ester. Pentafluorobenzoic acid, 2-propylphenyl ester. 3-Isopropylphenol, pentafluorobenzoyl ester. 5-Isopropyl-2-methylphenyl 2,3,4,5,6-pentafluorobenzoate. Benzoic acid, 2-isopropylphenyl ester. 2-tert-Butyl-5-methylphenol, pentafluorobenzoyl ester. 2-tert-Butyl-4-methylphenol, pentafluorobenzoyl ester. Isophthalic acid, di(2-isopropylphenyl) ester. 4-Isopropylphenol, pentafluorobenzoyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 2-propylphenyl ester. Isophthalic acid, ethyl 2-isopropylphenyl ester. 3-Methyl-4-isopropylphenol, pentafluorobenzoyl ester. 2,4-Difluorobenzoic acid, 2-propylphenyl ester.

Find more compounds similar to 2-Isopropylphenol, pentafluorobenzoyl ester.

Sources

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