Chemical Properties of 2-tert-Butylphenol, pentafluorobenzoyl ester

2-tert-Butylphenol, pentafluorobenzoyl ester

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InChI
InChI=1S/C17H13F5O2/c1-17(2,3)8-6-4-5-7-9(8)24-16(23)10-11(18)13(20)15(22)14(21)12(10)19/h4-7H,1-3H3
InChI Key
PMIQOYCPXYTJMF-UHFFFAOYSA-N
Formula
C17H13F5O2
SMILES
CC(C)(C)c1ccccc1OC(=O)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
344.28
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Physical Properties

Property Value Unit Source
Δf -945.83 kJ/mol Joback Calculated Property
Δfgas -1224.07 kJ/mol Joback Calculated Property
Δfus 36.31 kJ/mol Joback Calculated Property
Δvap 65.73 kJ/mol Joback Calculated Property
log10WS -6.53 Crippen Calculated Property
logPoct/wat 4.899 Crippen Calculated Property
McVol 219.160 ml/mol McGowan Calculated Property
Pc 1682.41 kPa Joback Calculated Property
Inp [1720.30; 1727.90]   Show Hide
Inp 1720.30 NIST
Inp 1723.90 NIST
Inp 1727.90 NIST
Inp 1720.30 NIST
Tboil 741.01 K Joback Calculated Property
Tc 942.96 K Joback Calculated Property
Tfus 486.84 K Joback Calculated Property
Vc 0.875 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [607.86; 672.25] J/mol×K [741.01; 942.96] Show Hide
Cp,gas 607.86 J/mol×K 741.01 Joback Calculated Property
Cp,gas 620.68 J/mol×K 774.67 Joback Calculated Property
Cp,gas 632.62 J/mol×K 808.33 Joback Calculated Property
Cp,gas 643.72 J/mol×K 841.99 Joback Calculated Property
Cp,gas 654.01 J/mol×K 875.65 Joback Calculated Property
Cp,gas 663.51 J/mol×K 909.31 Joback Calculated Property
Cp,gas 672.25 J/mol×K 942.96 Joback Calculated Property

Similar Compounds

2-tert-Butyl-4-methylphenol, pentafluorobenzoyl ester. 2-tert-Butyl-5-methylphenol, pentafluorobenzoyl ester. 2-Isopropylphenol, pentafluorobenzoyl ester. 3-tert-Butylphenol, pentafluorobenzoyl ester. 4-tert-Butylphenol, pentafluorobenzoyl ester. 2-Ethylphenol, pentafluorobenzoyl ester. 2,6-Di-isopropylphenol, pentafluorobenzoyl ester. 4(1,1-Dimethylpropyl)phenol, pentafluorobenzoyl ester. Pentafluorobenzoic acid, 2-propylphenyl ester. 3-Isopropylphenol, pentafluorobenzoyl ester. 4-Isopropylphenol, pentafluorobenzoyl ester. 4(1,1-Dimethylbutyl)phenol, pentafluorobenzoyl ester. 5-Isopropyl-2-methylphenyl 2,3,4,5,6-pentafluorobenzoate. 4(1,1-Dimethylpentyl)phenol, pentafluorobenzoyl ester. 4(1,1-Dimethylhexyl)phenol, pentafluorobenzoyl ester.

Find more compounds similar to 2-tert-Butylphenol, pentafluorobenzoyl ester.

Sources

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