Chemical Properties of 4(1,2,2-Trimethylpropyl)phenol, pentafluorobenzoyl ester

4(1,2,2-Trimethylpropyl)phenol, pentafluorobenzoyl ester

InChI
InChI=1S/C19H17F5O2/c1-9(19(2,3)4)10-5-7-11(8-6-10)26-18(25)12-13(20)15(22)17(24)16(23)14(12)21/h5-9H,1-4H3
InChI Key
RQUVJBSGNOEDPS-UHFFFAOYSA-N
Formula
C19H17F5O2
SMILES
CC(c1ccc(OC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1)C(C)(C)C
Molecular Weight1
372.33
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Physical Properties

Property Value Unit Source
ΔfusH° 39.55 kJ/mol Joback Calculated Property
logPoct/wat 5.751 Crippen Calculated Property
McVol 247.340 ml/mol McGowan Calculated Property
Inp [2006.10; 2018.70]   Show Hide
Inp 2006.10 NIST
Inp 2011.90 NIST
Inp 2018.70 NIST
Inp 2006.10 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [712.72; 781.70] J/mol×K [768.46; 968.27] Show Hide
Cp,gas 712.72 J/mol×K 768.46 Joback Calculated Property
Cp,gas 726.60 J/mol×K 801.76 Joback Calculated Property
Cp,gas 739.48 J/mol×K 835.06 Joback Calculated Property
Cp,gas 751.39 J/mol×K 868.37 Joback Calculated Property
Cp,gas 762.37 J/mol×K 901.67 Joback Calculated Property
Cp,gas 772.47 J/mol×K 934.97 Joback Calculated Property
Cp,gas 781.70 J/mol×K 968.27 Joback Calculated Property

Similar Compounds

4-sec-Butylphenol, pentafluorobenzoyl ester. 4-Isopropylphenol, pentafluorobenzoyl ester. 4(1,1-Dimethylpropyl)phenol, pentafluorobenzoyl ester. 4-n-Butylphenol, pentafluorobenzoyl ester. 4-n-Octylphenol, pentafluorobenzoyl ester. 4-n-Heptylphenol, pentafluorobenzoyl ester. 4-n-Nonylphenol, pentafluorobenzoyl ester. 4-n-Hexylphenol, pentafluorobenzoyl ester. 4-n-Pentylphenol, pentafluorobenzoyl ester. 4(1,1-Dimethylbutyl)phenol, pentafluorobenzoyl ester. 4-n-Propylphenol, pentafluorobenzoyl ester. 3-Isopropylphenol, pentafluorobenzoyl ester. 4(1,1-Dimethylpentyl)phenol, pentafluorobenzoyl ester. 4(1,1-Dimethylhexyl)phenol, pentafluorobenzoyl ester. 3-Methyl-4-isopropylphenol, pentafluorobenzoyl ester.

Find more compounds similar to 4(1,2,2-Trimethylpropyl)phenol, pentafluorobenzoyl ester.

Sources

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