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-/m1/s1

InChI Key

GJJVAFUKOBZPCB-CEPFXNDVSA-N

Formula

C26H38O2

SMILES

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)ccc2O1

Molecular Weight¹

382.59

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[1148.96; 1316.94]	J/mol×K	[957.08; 1186.05]
Cp,gas	1148.96	J/mol×K	957.08	Joback Calculated Property
Cp,gas	1174.17	J/mol×K	995.24	Joback Calculated Property
Cp,gas	1200.08	J/mol×K	1033.40	Joback Calculated Property
Cp,gas	1227.00	J/mol×K	1071.57	Joback Calculated Property
Cp,gas	1255.24	J/mol×K	1109.73	Joback Calculated Property
Cp,gas	1285.12	J/mol×K	1147.89	Joback Calculated Property
Cp,gas	1316.94	J/mol×K	1186.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tocotrienol.

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.
These property values are available through the Cheméo API. A free account gives you an access key.