Chemical Properties of d,«alpha»-Tocopherol (CAS 1406-18-4)

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/t21-,22-,29-/m0/s1

InChI Key

GVJHHUAWPYXKBD-SYZUXVNWSA-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

1406-18-4

Other Names

• Vitamin E
• Tocol, 5,7,8-trimethyl

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	56.28	kJ/mol	Joback Calculated Property
logPoct/wat	8.840		Crippen Calculated Property
McVol	396.590	ml/mol	McGowan Calculated Property
Inp	[3111.00; 3112.00]
Inp	3112.00		NIST
Inp	3111.00		NIST
Inp	3111.00		NIST
Inp	3112.00		NIST
Inp	3111.00		NIST
Tfus	358.39	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1437.29; 1619.91]	J/mol×K	[1027.02; 1257.43]
Cp,gas	1437.29	J/mol×K	1027.02	Joback Calculated Property
Cp,gas	1465.97	J/mol×K	1065.42	Joback Calculated Property
Cp,gas	1495.02	J/mol×K	1103.82	Joback Calculated Property
Cp,gas	1524.68	J/mol×K	1142.22	Joback Calculated Property
Cp,gas	1555.22	J/mol×K	1180.63	Joback Calculated Property
Cp,gas	1586.87	J/mol×K	1219.03	Joback Calculated Property
Cp,gas	1619.91	J/mol×K	1257.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to d,«alpha»-Tocopherol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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