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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8390		Relay (1.0) Calculated Property
ΔfG°	288.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-434.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.92	kJ/mol	Joback Calculated Property
ΔvapH°	130.32	kJ/mol	Relay (1.0) Calculated Property
IE	7.38	eV	Relay (1.0) Calculated Property
log10WS	-6.55		Relay (1.0) 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	692.24	K	Relay (1.0) Calculated Property
Tc	925.68	K	Relay (1.0) Calculated Property
Tfus	355.27	K	Relay (1.0) Calculated Property
Vc	1.186	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• 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.