Chemical Properties of .beta.-Tocopherol, O-pentafluoropropionyl-

.beta.-Tocopherol, O-pentafluoropropionyl-

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InChI
InChI=1S/C31H47F5O3/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-29(7)18-16-25-24(6)26(19-23(5)27(25)39-29)38-28(37)30(32,33)31(34,35)36/h19-22H,8-18H2,1-7H3
InChI Key
BFYRGFPQIGMCAG-UHFFFAOYSA-N
Formula
C31H47F5O3
SMILES
Cc1cc(OC(=O)C(F)(F)C(F)(F)F)c(C)c2c1OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CC2
Molecular Weight1
562.70
Sources

Physical Properties

Property Value Unit Source
Δf -968.54 kJ/mol Joback Calculated Property
Δfgas -1801.33 kJ/mol Joback Calculated Property
Δfus 59.04 kJ/mol Joback Calculated Property
Δvap 94.28 kJ/mol Joback Calculated Property
logPoct/wat 9.93 Crippen Calculated Property
Pc 675.00 kPa Joback Calculated Property
Tboil 1058.34 K Joback Calculated Property
Tc 1304.19 K Joback Calculated Property
Tfus 615.47 K Joback Calculated Property
Vc 1.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1584.04 J/mol×K 1058.34 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 3
-O- (ring) 1
>C=O (nonring) 1
=CH- (ring) 1
=C< (ring) 5
-CH2- 9
-F 5
>C< 2
>C< (ring) 1
-CH3 7
-CH2- (ring) 2

Similar Compounds

(+)-.alpha.-Tocopherol, O-pentafluoropropionyl-. .delta.-Tocopherol, O-pentafluoropropionyl-. (+)-.alpha.-Tocopherol, O-heptafluorobutyryl-. (+)-.alpha.-Tocopherol, O-trifluoroacetyl-. «beta»-Tocopherol, O-acetyl-. «alpha»-Tocopheryl acetate. (.+/-.)-«alpha»-Tocopherol acetate. .delta.-Tocopherol, O-heptafluorobutyryl-. (+)-«gamma»-Tocopherol, O-acetyl-. .delta.-Tocopherol, O-trifluoroacetyl-. «beta»-Tocopherol, O-methyl-. (R)-6-Methoxy-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman. «beta»-Tocopherol. Tocol, 5,8-dimethyl. dl-«alpha»-Tocopherol.

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