Chemical Properties of 2,3,6-Trimethylphenol, pentafluorobenzoyl ester

2,3,6-Trimethylphenol, pentafluorobenzoyl ester

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InChI
InChI=1S/C16H11F5O2/c1-6-4-5-7(2)15(8(6)3)23-16(22)9-10(17)12(19)14(21)13(20)11(9)18/h4-5H,1-3H3
InChI Key
UPZDETHWGKIHJR-UHFFFAOYSA-N
Formula
C16H11F5O2
SMILES
Cc1ccc(C)c(OC(=O)c2c(F)c(F)c(F)c(F)c2F)c1C
Molecular Weight1
330.25
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Physical Properties

Property Value Unit Source
Δf -976.35 kJ/mol Joback Calculated Property
Δfgas -1217.62 kJ/mol Joback Calculated Property
Δfus 40.35 kJ/mol Joback Calculated Property
Δvap 66.13 kJ/mol Joback Calculated Property
log10WS -6.64 Crippen Calculated Property
logPoct/wat 4.527 Crippen Calculated Property
McVol 205.070 ml/mol McGowan Calculated Property
Pc 1749.21 kPa Joback Calculated Property
Inp [1756.90; 1766.70]   Show Hide
Inp 1756.90 NIST
Inp 1761.10 NIST
Inp 1766.70 NIST
Inp 1756.90 NIST
Tboil 731.32 K Joback Calculated Property
Tc 928.38 K Joback Calculated Property
Tfus 498.19 K Joback Calculated Property
Vc 0.830 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [549.91; 610.69] J/mol×K [731.32; 928.38] Show Hide
Cp,gas 549.91 J/mol×K 731.32 Joback Calculated Property
Cp,gas 561.85 J/mol×K 764.16 Joback Calculated Property
Cp,gas 573.08 J/mol×K 797.01 Joback Calculated Property
Cp,gas 583.57 J/mol×K 829.85 Joback Calculated Property
Cp,gas 593.34 J/mol×K 862.69 Joback Calculated Property
Cp,gas 602.38 J/mol×K 895.54 Joback Calculated Property
Cp,gas 610.69 J/mol×K 928.38 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to 2,3,6-Trimethylphenol, pentafluorobenzoyl ester.

Sources

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