Chemical Properties of Ritalinic acid, N-trimethylsilyl-, trimethylsilyl ester

InChI

InChI=1S/C19H33NO2Si2/c1-23(2,3)20-15-11-10-14-17(20)18(16-12-8-7-9-13-16)19(21)22-24(4,5)6/h7-9,12-13,17-18H,10-11,14-15H2,1-6H3

InChI Key

XNTBHYIWPSZGIU-UHFFFAOYSA-N

Formula

C19H33NO2Si2

SMILES

C[Si](C)(C)OC(=O)C(c1ccccc1)C1CCCCN1[Si](C)(C)C

Molecular Weight¹

363.64

• logP_oct/wat : Octanol/Water partition coefficient.
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	4.838		Crippen Calculated Property
Inp	[1930.90; 1930.90]
Inp	1930.90		NIST
Inp	1930.90		NIST
Tfus	331.93	K	Relay (1.0) Calculated Property

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.

Similar Compounds

Find more compounds similar to Ritalinic acid, N-trimethylsilyl-, trimethylsilyl ester.

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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