Chemical Properties of 3,3,5-Trimethylcyclohexyl 2-(heptafluorobutyryloxy)benzoate

3,3,5-Trimethylcyclohexyl 2-(heptafluorobutyryloxy)benzoate

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InChI
InChI=1S/C20H21F7O4/c1-11-8-12(10-17(2,3)9-11)30-15(28)13-6-4-5-7-14(13)31-16(29)18(21,22)19(23,24)20(25,26)27/h4-7,11-12H,8-10H2,1-3H3
InChI Key
SGFABSORPRSFLG-UHFFFAOYSA-N
Formula
C20H21F7O4
SMILES
CC1CC(OC(=O)c2ccccc2OC(=O)C(F)(F)C(F)(F)C(F)(F)F)CC(C)(C)C1
Molecular Weight1
458.37
Other Names
  • Benzoic acid, 2-(heptafluorobutyryloxy)-, 3,3,5-trimethylcyclohexyl ester
  • Heliophan heptafluorobutyrate
Sources

Physical Properties

Property Value Unit Source
Δf -1599.15 kJ/mol Joback Calculated Property
Δfgas -2090.81 kJ/mol Joback Calculated Property
Δfus 33.78 kJ/mol Joback Calculated Property
Δvap 70.42 kJ/mol Joback Calculated Property
logPoct/wat 5.80 Crippen Calculated Property
Pc 1271.87 kPa Joback Calculated Property
Tboil 836.89 K Joback Calculated Property
Tc 1040.80 K Joback Calculated Property
Tfus 532.61 K Joback Calculated Property
Vc 1.12 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 931.25 J/mol×K 836.89 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 7
=CH- (ring) 4
=C< (ring) 2
>C< 3
>C< (ring) 1
>C=O (nonring) 2
-CH3 3
>CH- (ring) 2
-CH2- (ring) 3

Similar Compounds

3,3,5-Trimethylcyclohexyl 2-(pentafluoropropionyloxy)benzoate. Methyl 2-hydroxy-4-methoxybenzoate, heptafluorobutyrate. Benzoic acid, 2-heptafluorobutyryloxy-, tert.-butyldimethylsilyl ester. 3,3,5-Trimethylcyclohexyl 2-(trifluoroacetyloxy)benzoate. 5-Bromo-2-hydroxybenzyl alcohol, bis(heptafluorobutyrate). 2-Hydroxy-5-nitrobenzyl alcohol, bis(heptafluorobutyrate). Ethylene glycol monosalicylate, bis(pentafluoropropionate). Zearalenone, bis(pentafluoropropionate). 3,3,5-Trimethylcyclohexyl 2-acetoxybenzoate. Methyl 2-hydroxy-4-methoxybenzoate, O-pentafluoropropionyl-. Trichlamide, N-heptafluorobutyryl-. 3-Methylcatechol, bis(heptafluorobutyrate). Estradiol, HFB. Zearalenone bis(trifluoroacetate). 3,5-Dihydroxybenzyl alcohol, tris(heptafluorobutyrate).

Find more compounds similar to 3,3,5-Trimethylcyclohexyl 2-(heptafluorobutyryloxy)benzoate.

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