Chemical Properties of Tocotrienol, 5,7,8-trimethyl

InChI

InChI=1S/C29H44O2/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/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m0/s1

InChI Key

RZFHLOLGZPDCHJ-AIEICBQISA-N

Formula

C29H44O2

SMILES

CC(C)=CCCC(C)=CCCC(C)=CCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1

Molecular Weight¹

424.66

• 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

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	[1353.13; 1558.48]	J/mol×K	[1040.46; 1276.15]
Cp,gas	1353.13	J/mol×K	1040.46	Joback Calculated Property
Cp,gas	1383.27	J/mol×K	1079.74	Joback Calculated Property
Cp,gas	1414.60	J/mol×K	1119.02	Joback Calculated Property
Cp,gas	1447.46	J/mol×K	1158.31	Joback Calculated Property
Cp,gas	1482.18	J/mol×K	1197.59	Joback Calculated Property
Cp,gas	1519.07	J/mol×K	1236.87	Joback Calculated Property
Cp,gas	1558.48	J/mol×K	1276.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tocotrienol, 5,7,8-trimethyl.

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

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