Chemical Properties of (+)-.alpha.-Tocopherol, O-pentafluoropropionyl-

(+)-.alpha.-Tocopherol, O-pentafluoropropionyl-

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InChI
InChI=1S/C32H49F5O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-30(8)19-17-26-25(7)27(23(5)24(6)28(26)40-30)39-29(38)31(33,34)32(35,36)37/h20-22H,9-19H2,1-8H3
InChI Key
ZWZMZLFSLHSUSY-UHFFFAOYSA-N
Formula
C32H49F5O3
SMILES
Cc1c(C)c2c(c(C)c1OC(=O)C(F)(F)C(F)(F)F)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2
Molecular Weight1
576.72
Sources

Physical Properties

Property Value Unit Source
Δf -969.75 kJ/mol Joback Calculated Property
Δfgas -1833.44 kJ/mol Joback Calculated Property
Δfus 61.24 kJ/mol Joback Calculated Property
Δvap 97.17 kJ/mol Joback Calculated Property
logPoct/wat 10.24 Crippen Calculated Property
Pc 637.69 kPa Joback Calculated Property
Tboil 1086.20 K Joback Calculated Property
Tc 1344.08 K Joback Calculated Property
Tfus 639.26 K Joback Calculated Property
Vc 1.76 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1653.33 J/mol×K 1086.2 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 3
-O- (nonring) 1
-O- (ring) 1
-F 5
>C=O (nonring) 1
=C< (ring) 6
-CH2- 9
>C< 2
>C< (ring) 1
-CH3 8
-CH2- (ring) 2

Similar Compounds

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

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