Chemical Properties of Tocol, 5-methyl

Tocol, 5-methyl

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InChI
InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-18-27(6)19-17-24-23(5)25(28)15-16-26(24)29-27/h15-16,20-22,28H,7-14,17-19H2,1-6H3/t21-,22-,27-/m0/s1
InChI Key
CUZJBNKZWVQOPX-BERHBOFZSA-N
Formula
C27H46O2
SMILES
Cc1c(O)ccc2c1CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2
Molecular Weight1
402.65
Sources

Physical Properties

Property Value Unit Source
Δf 64.71 kJ/mol Joback Calculated Property
Δfgas -630.29 kJ/mol Joback Calculated Property
Δfus 51.88 kJ/mol Joback Calculated Property
Δvap 94.59 kJ/mol Joback Calculated Property
logPoct/wat 8.22 Crippen Calculated Property
Pc 1011.02 kPa Joback Calculated Property
Tboil 971.30 K Joback Calculated Property
Tc 1192.37 K Joback Calculated Property
Tfus 577.12 K Joback Calculated Property
Vc 1.36 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1299.97 J/mol×K 971.3 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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