Chemical Properties of Resveratrol, 3TMS

InChI

InChI=1S/C23H36O3Si3/c1-27(2,3)24-21-14-12-19(13-15-21)10-11-20-16-22(25-28(4,5)6)18-23(17-20)26-29(7,8)9/h10-18H,1-9H3/b11-10+

InChI Key

OYEDQJUIBMBCRH-ZHACJKMWSA-N

Formula

C23H36O3Si3

SMILES

C[Si](C)(C)Oc1ccc(C=Cc2cc(O[Si](C)(C)C)cc(O[Si](C)(C)C)c2)cc1

Molecular Weight¹

444.79

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔvapH°	96.10	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	7.498		Crippen Calculated Property
Inp	[2717.90; 2717.90]
Inp	2717.90		NIST
Inp	2717.90		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, 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 Resveratrol, 3TMS.

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

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.