Chemical Properties of 2-Methylphenol, pentafluorobenzoyl ester

2-Methylphenol, pentafluorobenzoyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C14H7F5O2/c1-6-4-2-3-5-7(6)21-14(20)8-9(15)11(17)13(19)12(18)10(8)16/h2-5H,1H3
InChI Key
GKCUMNRLDRFEPX-UHFFFAOYSA-N
Formula
C14H7F5O2
SMILES
Cc1ccccc1OC(=O)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
302.20
Sources

Physical Properties

Property Value Unit Source
Δf -973.93 kJ/mol Joback Calculated Property
Δfgas -1153.40 kJ/mol Joback Calculated Property
Δfus 35.95 kJ/mol Joback Calculated Property
Δvap 60.35 kJ/mol Joback Calculated Property
logPoct/wat 3.91 Crippen Calculated Property
Pc 2125.60 kPa Joback Calculated Property
Tboil 675.60 K Joback Calculated Property
Tc 874.76 K Joback Calculated Property
Tfus 450.61 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 449.69 J/mol×K 675.6 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 5
=CH- (ring) 4
=C< (ring) 8
>C=O (nonring) 1
-CH3 1

Similar Compounds

2,4,6-Trimethylphenol, pentafluorobenzoyl ester. 2-Ethylphenol, pentafluorobenzoyl ester. 2,3-Dimethylphenol, pentafluorobenzoyl ester. 2-Isopropylphenol, pentafluorobenzoyl ester. 2-tert-Butylphenol, pentafluorobenzoyl ester. 3,5-Dimethylphenol, pentafluorobenzoyl ester. 2,6-Di-isopropylphenol, pentafluorobenzoyl ester. 2-tert-Butyl-4-methylphenol, pentafluorobenzoyl ester. 3-Ethylphenol, pentafluorobenzoyl ester. 4-tert-Butylphenol, pentafluorobenzoyl ester. 4-n-Butylphenol, pentafluorobenzoyl ester. 2,3,4-Trifluorobenzoic acid, 4-benzyloxyphenyl ester. 4-n-Pentylphenol, pentafluorobenzoyl ester. 3-Isopropylphenol, pentafluorobenzoyl ester. 2,3,4-Trifluorobenzoic acid, 4-cyanophenyl ester.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.