Chemical Properties of trans-Piceid, 6TMS

InChI

InChI=1S/C38H70O8Si6/c1-47(2,3)39-28-34-35(44-50(10,11)12)36(45-51(13,14)15)37(46-52(16,17)18)38(41-34)40-32-25-30(26-33(27-32)43-49(7,8)9)20-19-29-21-23-31(24-22-29)42-48(4,5)6/h19-27,34-38H,28H2,1-18H3

InChI Key

ZAYPUEYKPPTDBS-UHFFFAOYSA-N

Formula

C38H70O8Si6

SMILES

C[Si](C)(C)OCC1OC(Oc2cc(/C=C/c3ccc(O[Si](C)(C)C)cc3)cc(O[Si](C)(C)C)c2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C

Molecular Weight¹

823.49

• 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	10.900		Crippen Calculated Property
Inp	[3734.90; 3734.90]
Inp	3734.90		NIST
Inp	3734.90		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, 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-Piceid, 6TMS.

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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