Chemical Properties of Vitamin E (CAS 59-02-9)

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

InChI Key

GVJHHUAWPYXKBD-UHFFFAOYSA-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

59-02-9

Other Names

• (+)-.alpha.-tocopherol
• (+)-«alpha»-Tocopherol
• (2R)-3,4-Dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol
• (2R,4'R,8'R)-.alpha.-tocopherol
• (2R,4'R,8'R)-«alpha»-Tocopherol
• (All-R)-«alpha»-Tocopherol
• (R,R,R)-.alpha.-tocopherol
• (R,R,R)-«alpha»-Tocopherol
• (all-R)-.alpha.-tocopherol
• ,8,12-trimethyltridecyl)-, [2R-[2R*(4R*,8R*)]]-
• .alpha.-tocopherol
• 121854-78-2
• 18920-62-2
• 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol
• 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, [2R-[2R*(4R*,8R*)]]-
• 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol, [2R-[2R*(4R*,8R*)]]-
• 364-49-8
• 5,7,8-trimethyltocol
• Almefrol
• Antisterility vitamin
• Aquasol E
• Covi-ox
• Covitol F 1000
• Covitol F 1300
• D-.alpha.-tocopherol
• D-«alpha»-tocopherol
• Denamone
• E-Oil 1000
• E-toplex
• E-vimin
• Emipherol
• Endo E
• Eprolin
• Eprolin S
• Epsilan
• Epsilan-m
• Esorb
• Etamican
• Etavit
• Evion
• Evipherol
• Evitaminum
• Ilitia
• Lan-E
• Med-E
• Phytogermine
• Profecundin
• Rhenogran Ronotec 50
• Spavit
• Spavit E
• Syntopherol
• Tenox GT 1
• Tocopherex
• Tocopherol
• Tokopharm
• Vascuals
• Verrol
• Vi-E
• Viprimol
• Vita E
• Vitayonon
• Viteolin
• [2R-2R*(4R*,8R*)]-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol
• vitamin E.alpha.
• vitaplex E
• «alpha»-D-Tocopherol
• «alpha»-Tocopherol
• «alpha»-Tokoferol
• «alpha»-Vitamin E

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boil : Boiling point at given pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	62.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-694.51	kJ/mol	Joback Calculated Property
ΔfusH°	56.28	kJ/mol	Joback Calculated Property
ΔvapH°	100.37	kJ/mol	Joback Calculated Property
log10WS	-9.77		Crippen Calculated Property
logPoct/wat	8.840		Crippen Calculated Property
McVol	396.590	ml/mol	McGowan Calculated Property
Pc	882.09	kPa	Joback Calculated Property
Inp	[3112.00; 3149.40]
Inp	3138.00		NIST
Inp	3149.40		NIST
Inp	3112.00		NIST
Inp	3130.00		NIST
Inp	3142.00		NIST
Inp	3112.00		NIST
Inp	3142.00		NIST
Inp	3138.00		NIST
Inp	3149.40		NIST
Tboil	1027.02	K	Joback Calculated Property
Tc	1257.43	K	Joback Calculated Property
Tfus	624.70	K	Joback Calculated Property
Vc	1.468	m3/kmol	Joback Calculated Property

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

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Vitamin E.

Mixtures

• Carbon dioxide + Vitamin E

Sources

• Crippen Method
• Crippen Method
• Boiling Points of Short-Chain Partial Acylglycerols and Tocopherols at Low Pressures by the Differential Scanning Calorimetry Technique
• Densities of r-Tocopherol + Supercritical Carbon Dioxide Mixtures
• Joback Method
• McGowan Method
• NIST Webbook

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