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

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

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InChI
InChI=1S/C33H49F7O3/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)43-30)42-29(41)31(34,35)32(36,37)33(38,39)40/h20-22H,9-19H2,1-8H3
InChI Key
XCBODWISQPHZDL-UHFFFAOYSA-N
Formula
C33H49F7O3
SMILES
Cc1c(C)c2c(c(C)c1OC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2
Molecular Weight1
626.73
Sources

Physical Properties

Property Value Unit Source
Δf -1348.11 kJ/mol Joback Calculated Property
Δfgas -2255.05 kJ/mol Joback Calculated Property
Δfus 62.57 kJ/mol Joback Calculated Property
Δvap 96.47 kJ/mol Joback Calculated Property
logPoct/wat 10.87 Crippen Calculated Property
Pc 587.13 kPa Joback Calculated Property
Tboil 1104.39 K Joback Calculated Property
Tc 1377.18 K Joback Calculated Property
Tfus 654.13 K Joback Calculated Property
Vc 1.84 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1734.87 J/mol×K 1104.39 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 3
-O- (nonring) 1
-O- (ring) 1
-F 7
>C=O (nonring) 1
=C< (ring) 6
-CH2- 9
>C< 3
>C< (ring) 1
-CH3 8
-CH2- (ring) 2

Similar Compounds

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

Find more compounds similar to (+)-.alpha.-Tocopherol, O-heptafluorobutyryl-.

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