Chemical Properties of «beta»-Tocopherol, O-acetyl-

«beta»-Tocopherol, O-acetyl-

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InChI
InChI=1S/C30H50O3/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-30(8)19-17-27-25(6)28(32-26(7)31)20-24(5)29(27)33-30/h20-23H,9-19H2,1-8H3
InChI Key
OBYRLAGSPYKPGO-UHFFFAOYSA-N
Formula
C30H50O3
SMILES
CC(=O)Oc1cc(C)c2c(c1C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2
Molecular Weight1
458.72
Sources

Physical Properties

Property Value Unit Source
Δf -8.59 kJ/mol Joback Calculated Property
Δfgas -782.64 kJ/mol Joback Calculated Property
Δfus 55.87 kJ/mol Joback Calculated Property
Δvap 98.73 kJ/mol Joback Calculated Property
logPoct/wat 8.75 Crippen Calculated Property
Pc 786.39 kPa Joback Calculated Property
Tboil 1045.57 K Joback Calculated Property
Tc 1280.58 K Joback Calculated Property
Tfus 596.41 K Joback Calculated Property
Vc 1.58 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1485.38 J/mol×K 1045.57 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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