Chemical Properties of .delta.-Tocopherol, O-trifluoroacetyl-

.delta.-Tocopherol, O-trifluoroacetyl-

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InChI
InChI=1S/C29H45F3O3/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-28(6)17-15-24-19-25(18-23(5)26(24)35-28)34-27(33)29(30,31)32/h18-22H,7-17H2,1-6H3
InChI Key
BOTDPLUNGSNVJI-UHFFFAOYSA-N
Formula
C29H45F3O3
SMILES
Cc1cc(OC(=O)C(F)(F)F)cc2c1OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CC2
Molecular Weight1
498.66
Sources

Physical Properties

Property Value Unit Source
Δf -588.97 kJ/mol Joback Calculated Property
Δfgas -1347.61 kJ/mol Joback Calculated Property
Δfus 55.50 kJ/mol Joback Calculated Property
Δvap 92.10 kJ/mol Joback Calculated Property
logPoct/wat 8.99 Crippen Calculated Property
Pc 784.19 kPa Joback Calculated Property
Tboil 1012.29 K Joback Calculated Property
Tc 1240.19 K Joback Calculated Property
Tfus 576.81 K Joback Calculated Property
Vc 1.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1436.15 J/mol×K 1012.29 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 3
-O- (nonring) 1
-O- (ring) 1
-CH3 6
=CH- (ring) 2
=C< (ring) 4
-CH2- 9
-F 3
>C< 1
>C< (ring) 1
>C=O (nonring) 1
-CH2- (ring) 2

Similar Compounds

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

Find more compounds similar to .delta.-Tocopherol, O-trifluoroacetyl-.

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