Chemical Properties of dl-«alpha»-Tocopherol (CAS 10191-41-0)

dl-«alpha»-Tocopherol

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InChI
InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3
InChI Key
GVJHHUAWPYXKBD-UHFFFAOYSA-N
Formula
C29H50O2
SMILES
Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2
Molecular Weight1
430.71
CAS
10191-41-0
Other Names
  • (.+/-.)-«alpha»-Tocopherol
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-
  • 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
  • 6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-
Sources

Physical Properties

Property Value Unit Source
Δf 62.29 kJ/mol Joback Calculated Property
Δfgas -694.51 kJ/mol Joback Calculated Property
Δfus 56.28 kJ/mol Joback Calculated Property
Δvap 100.37 kJ/mol Joback Calculated Property
logPoct/wat 8.840 Crippen Calculated Property
Pc 882.09 kPa Joback Calculated Property
Tboil 1027.02 K Joback Calculated Property
Tc 1257.43 K Joback Calculated Property
Tfus 624.70 K Joback Calculated Property
Vc 1.468 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1437.29 J/mol×K 1027.02 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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