Chemical Properties of Tocol

Tocol

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InChI
InChI=1S/C26H44O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h14-15,19-22,27H,6-13,16-18H2,1-5H3/t21-,22-,26-/m0/s1
InChI Key
DFUSDJMZWQVQSF-MCEYFSPLSA-N
Formula
C26H44O2
SMILES
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2cc(O)ccc2O1
Molecular Weight1
388.63
Sources

Physical Properties

Property Value Unit Source
Δf 65.92 kJ/mol Joback Calculated Property
Δfgas -598.18 kJ/mol Joback Calculated Property
Δfus 49.68 kJ/mol Joback Calculated Property
Δvap 91.70 kJ/mol Joback Calculated Property
logPoct/wat 7.92 Crippen Calculated Property
Pc 1086.35 kPa Joback Calculated Property
Tboil 943.44 K Joback Calculated Property
Tc 1161.46 K Joback Calculated Property
Tfus 553.33 K Joback Calculated Property
Vc 1.30 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1233.16 J/mol×K 943.44 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Tocol, 7-methyl. «delta»-Tocopherol. Tocol, 8-methyl. «delta»-Tocopherol, O-methyl-. (R)-6-Methoxy-2,8-dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman. Tocol, 5-methyl. Tocotrienol. Tocol, 7,8-dimethyl. «gamma»-Tocopherol. .delta.-Tocopherol, O-acetyl-. Tocol, 5,7-dimethyl. (+)-«gamma»-Tocopherol, O-methyl-. 6-Methoxy-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman. Tocotrienol, 7-methyl. Tocol, 5,8-dimethyl.

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