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

.delta.-Tocopherol, O-heptafluorobutyryl-

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InChI
InChI=1S/C31H45F7O3/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)41-28)40-27(39)29(32,33)30(34,35)31(36,37)38/h18-22H,7-17H2,1-6H3
InChI Key
PMCAQIGNKZLLAE-UHFFFAOYSA-N
Formula
C31H45F7O3
SMILES
Cc1cc(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc2c1OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CC2
Molecular Weight1
598.68
Sources

Physical Properties

Property Value Unit Source
Δf -1345.69 kJ/mol Joback Calculated Property
Δfgas -2190.83 kJ/mol Joback Calculated Property
Δfus 58.17 kJ/mol Joback Calculated Property
Δvap 90.69 kJ/mol Joback Calculated Property
logPoct/wat 10.26 Crippen Calculated Property
Pc 655.78 kPa Joback Calculated Property
Tboil 1048.67 K Joback Calculated Property
Tc 1294.42 K Joback Calculated Property
Tfus 606.55 K Joback Calculated Property
Vc 1.73 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1595.68 J/mol×K 1048.67 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 3
-O- (nonring) 1
-O- (ring) 1
>C=O (nonring) 1
=CH- (ring) 2
=C< (ring) 4
-CH2- 9
-F 7
>C< 3
>C< (ring) 1
-CH3 6
-CH2- (ring) 2

Similar Compounds

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

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

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