Chemical Properties of «delta»-Tocopherol (CAS 119-13-1)

«delta»-Tocopherol

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InChI
InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3
InChI Key
GZIFEOYASATJEH-UHFFFAOYSA-N
Formula
C27H46O2
SMILES
Cc1cc(O)cc2c1OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CC2
Molecular Weight1
402.65
CAS
119-13-1
Other Names
  • (R)-2,8-Dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol
  • .omega.-tocopherol
  • 2,8-Dimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-, [2R-[2R*(4R*,8R*)]]-
  • 2H-1-benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-
  • 3,4-Dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol
  • 6-chromanol, 2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-
  • 8-Methyltocol
  • [2R[2R*(4R*,8R*)]]-3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
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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
log10WS -8.82 Crippen Calculated Property
logPoct/wat 8.223 Crippen Calculated Property
McVol 368.410 ml/mol McGowan Calculated Property
Pc 1011.02 kPa Joback Calculated Property
Inp [2951.00; 2968.10]   Show Hide
Inp 2951.00 NIST
Inp 2968.10 NIST
Inp 2951.00 NIST
Tboil 971.30 K Joback Calculated Property
Tc 1192.37 K Joback Calculated Property
Tfus 577.12 K Joback Calculated Property
Vc 1.355 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1299.97; 1461.41] J/mol×K [971.30; 1192.37] Show Hide
Cp,gas 1299.97 J/mol×K 971.30 Joback Calculated Property
Cp,gas 1325.79 J/mol×K 1008.14 Joback Calculated Property
Cp,gas 1351.73 J/mol×K 1044.99 Joback Calculated Property
Cp,gas 1378.03 J/mol×K 1081.83 Joback Calculated Property
Cp,gas 1404.92 J/mol×K 1118.68 Joback Calculated Property
Cp,gas 1432.64 J/mol×K 1155.52 Joback Calculated Property
Cp,gas 1461.41 J/mol×K 1192.37 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboil 552.60 K 1.10 Boiling...

Similar Compounds

Tocol, 8-methyl. «delta»-Tocopherol, O-methyl-. (R)-6-Methoxy-2,8-dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman. «gamma»-Tocopherol. Tocol, 7,8-dimethyl. «delta»-Tocopherol, O-acetyl-. «delta»-Tocopherol, O-trifluoroacetyl-. Tocopherol-«delta»-tms-derivative (high mass adjustment=100%). Tocol. «delta»-Tocopherol, O-pentafluoropropionyl-. «beta»-Tocopherol. Tocol, 5,8-dimethyl. 6-Methoxy-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman. Tocopherol-«gamma»-tms-derivative (high mass adjustment=100%). «gamma»-Tocopherol, trimethylsilyl ether.

Find more compounds similar to «delta»-Tocopherol.

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