Chemical Properties of trans-Dehydrohumulinic acid, TMS

InChI

InChI=1S/C21H36O4Si2/c1-14(2)11-12-16-19(23)21(25-27(8,9)10)18(17(22)13-15(3)4)20(16)24-26(5,6)7/h11,15H,12-13H2,1-10H3

InChI Key

YIORPTTUNYARET-UHFFFAOYSA-N

Formula

C21H36O4Si2

SMILES

CC(C)=CCC1=C(O[Si](C)(C)C)C(C(=O)CC(C)C)=C(O[Si](C)(C)C)C1=O

Molecular Weight¹

408.68

• logP_oct/wat : Octanol/Water partition coefficient.
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	5.752		Crippen Calculated Property
Inp	[2293.00; 2330.00]
Inp	2293.00		NIST
Inp	2330.00		NIST
Inp	2293.00		NIST

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.

Similar Compounds

Find more compounds similar to trans-Dehydrohumulinic acid, TMS.

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
• NIST Webbook

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