Chemical Properties of Tocotrienol

InChI

InChI=1S/C26H38O2/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/h9,11,13-15,19,27H,6-8,10,12,16-18H2,1-5H3/b21-11+,22-13+/t26-/m0/s1

InChI Key

GJJVAFUKOBZPCB-CEPFXNDVSA-N

Formula

C26H38O2

SMILES

CC(C)=CCCC(C)=CCCC(C)=CCCC1(C)CCc2cc(O)ccc2O1

Molecular Weight¹

382.58

• 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_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°	288.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-260.05	kJ/mol	Joback Calculated Property
ΔfusH°	56.92	kJ/mol	Joback Calculated Property
ΔvapH°	92.98	kJ/mol	Joback Calculated Property
log10WS	-8.63		Crippen Calculated Property
logPoct/wat	7.675		Crippen Calculated Property
McVol	341.420	ml/mol	McGowan Calculated Property
Pc	1199.79	kPa	Joback Calculated Property
Inp	[2963.00; 2963.00]
Inp	2963.00		NIST
Inp	2963.00		NIST
Tboil	956.88	K	Joback Calculated Property
Tc	1185.80	K	Joback Calculated Property
Tfus	541.21	K	Joback Calculated Property
Vc	1.260	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1148.83; 1316.73]	J/mol×K	[956.88; 1185.80]
Cp,gas	1148.83	J/mol×K	956.88	Joback Calculated Property
Cp,gas	1174.03	J/mol×K	995.03	Joback Calculated Property
Cp,gas	1199.93	J/mol×K	1033.19	Joback Calculated Property
Cp,gas	1226.84	J/mol×K	1071.34	Joback Calculated Property
Cp,gas	1255.06	J/mol×K	1109.50	Joback Calculated Property
Cp,gas	1284.92	J/mol×K	1147.65	Joback Calculated Property
Cp,gas	1316.73	J/mol×K	1185.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tocotrienol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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