Chemical Properties of 2-Ethylphenol, pentafluorobenzoyl ester

2-Ethylphenol, pentafluorobenzoyl ester

InChI
InChI=1S/C15H9F5O2/c1-2-7-5-3-4-6-8(7)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h3-6H,2H2,1H3
InChI Key
CFYZHNKEXVUFJO-UHFFFAOYSA-N
Formula
C15H9F5O2
SMILES
CCc1ccccc1OC(=O)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
316.22
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Physical Properties

Property Value Unit Source
Δfus 40.12 kJ/mol Joback Calculated Property
IE 8.85 eV Relay (1.0) Calculated Property
logPoct/wat 4.164 Crippen Calculated Property
McVol 190.980 ml/mol McGowan Calculated Property
Inp [1616.80; 1621.50]   Show Hide
Inp 1616.80 NIST
Inp 1619.10 NIST
Inp 1621.50 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [496.89; 556.65] J/mol×K [680.61; 875.58] Show Hide
Cp,gas 496.89 J/mol×K 680.61 Joback Calculated Property
Cp,gas 508.69 J/mol×K 713.11 Joback Calculated Property
Cp,gas 519.75 J/mol×K 745.60 Joback Calculated Property
Cp,gas 530.07 J/mol×K 778.10 Joback Calculated Property
Cp,gas 539.65 J/mol×K 810.59 Joback Calculated Property
Cp,gas 548.51 J/mol×K 843.09 Joback Calculated Property
Cp,gas 556.65 J/mol×K 875.58 Joback Calculated Property

Similar Compounds

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

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

Sources

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