Chemical Properties of 3-Methyl-4-isopropylphenol, pentafluorobenzoyl ester

3-Methyl-4-isopropylphenol, pentafluorobenzoyl ester

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InChI
InChI=1S/C17H13F5O2/c1-7(2)10-5-4-9(6-8(10)3)24-17(23)11-12(18)14(20)16(22)15(21)13(11)19/h4-7H,1-3H3
InChI Key
HGXLRQZUZUHQJB-UHFFFAOYSA-N
Formula
C17H13F5O2
SMILES
Cc1cc(OC(=O)c2c(F)c(F)c(F)c(F)c2F)ccc1C(C)C
Molecular Weight1
344.28
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Physical Properties

Property Value Unit Source
Δf -960.74 kJ/mol Joback Calculated Property
Δfgas -1232.07 kJ/mol Joback Calculated Property
Δfus 39.81 kJ/mol Joback Calculated Property
Δvap 67.30 kJ/mol Joback Calculated Property
log10WS -6.88 Crippen Calculated Property
logPoct/wat 5.033 Crippen Calculated Property
McVol 219.160 ml/mol McGowan Calculated Property
Pc 1647.09 kPa Joback Calculated Property
Inp [1840.10; 1845.60]   Show Hide
Inp 1840.10 NIST
Inp 1842.60 NIST
Inp 1845.60 NIST
Inp 1840.10 NIST
Tboil 748.78 K Joback Calculated Property
Tc 946.45 K Joback Calculated Property
Tfus 481.94 K Joback Calculated Property
Vc 0.879 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [604.92; 669.00] J/mol×K [748.78; 946.45] Show Hide
Cp,gas 604.92 J/mol×K 748.78 Joback Calculated Property
Cp,gas 617.62 J/mol×K 781.73 Joback Calculated Property
Cp,gas 629.50 J/mol×K 814.67 Joback Calculated Property
Cp,gas 640.57 J/mol×K 847.62 Joback Calculated Property
Cp,gas 650.84 J/mol×K 880.56 Joback Calculated Property
Cp,gas 660.31 J/mol×K 913.51 Joback Calculated Property
Cp,gas 669.00 J/mol×K 946.45 Joback Calculated Property

Similar Compounds

4-Isopropylphenol, pentafluorobenzoyl ester. 5-Isopropyl-2-methylphenyl 2,3,4,5,6-pentafluorobenzoate. 3-Isopropylphenol, pentafluorobenzoyl ester. 4-sec-Butylphenol, pentafluorobenzoyl ester. Pentafluorobenzoic acid, 3-ethylphenyl ester. 2-Isopropylphenol, pentafluorobenzoyl ester. 3-n-Propylphenol, pentafluorobenzoyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-isopropylphenyl ester. 4-n-Pentylphenol, pentafluorobenzoyl ester. 3,4-Dimethylphenol, pentafluorobenzoyl ester. 2-tert-Butyl-4-methylphenol, pentafluorobenzoyl ester. 4-n-Propylphenol, pentafluorobenzoyl ester. 4-n-Hexylphenol, pentafluorobenzoyl ester. 4-n-Butylphenol, pentafluorobenzoyl ester. 4-n-Octylphenol, pentafluorobenzoyl ester.

Find more compounds similar to 3-Methyl-4-isopropylphenol, pentafluorobenzoyl ester.

Sources

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