Chemical Properties of Dihydrocapsaicin, o-heptafluorobutyryl-

Dihydrocapsaicin, o-heptafluorobutyryl-

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InChI
InChI=1S/C22H28F7NO4/c1-14(2)8-6-4-5-7-9-18(31)30-13-15-10-11-16(17(12-15)33-3)34-19(32)20(23,24)21(25,26)22(27,28)29/h10-12,14H,4-9,13H2,1-3H3,(H,30,31)
InChI Key
XMFLKZAAVZSFNM-UHFFFAOYSA-N
Formula
C22H28F7NO4
SMILES
COc1cc(CNC(=O)CCCCCCC(C)C)ccc1OC(=O)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
503.45
Sources

Physical Properties

Property Value Unit Source
Δf -1508.53 kJ/mol Joback Calculated Property
Δfgas -2124.25 kJ/mol Joback Calculated Property
Δfus 52.47 kJ/mol Joback Calculated Property
Δvap 82.92 kJ/mol Joback Calculated Property
logPoct/wat 6.05 Crippen Calculated Property
Pc 992.63 kPa Joback Calculated Property
Tboil 926.91 K Joback Calculated Property
Tc 1135.03 K Joback Calculated Property
Tfus 582.53 K Joback Calculated Property
Vc 1.33 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1107.43 J/mol×K 926.91 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Dihydrocapsaicin, O-pentafluoropropionyl-. 4'-Hydroxy-3'-methoxyacetophenone, heptafluorobutyrate. 4-tert-Butylcatechol, O,O'-bis(heptafluorobutyrate). 4-Hydroxy-3-methoxybenzyl alcohol, bis(heptafluorobutyrate). Coniferyl alcohol, bis(heptafluorobutyrate). 3-Heptafluorobutyryloxy-4-methoxybenzyl alcohol, O-pentafluoropropionyl-. 3-Hydroxytyramine, N,O,O'-tris(heptafluorobutyryl)-. 3-Methylcatechol, bis(heptafluorobutyrate). 2,6-Dimethoxyphenol,heptafluorobutyrate. Dihydrocapsaicin, o-trifluoroacetyl-. 2-Methoxy-5-nitrophenol, heptafluorobutyrate. 3-trifluoroacetyloxy-4-methoxybenzyl alcohol, O-heptafluorobutyryl-. Orcinol, bis(heptafluorobutyrate). Resorcinol, 5-methyl, TFA-HFB. (-)-Norepinephrine, N,O,O',O''-tetrakis(heptafluorobutyryl)-.

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