Chemical Properties of Desmethyldoxepin, N-trimethylsilyl-

InChI

InChI=1S/C21H27NOSi/c1-22(24(2,3)4)15-9-13-19-18-11-6-5-10-17(18)16-23-21-14-8-7-12-20(19)21/h5-8,10-14H,9,15-16H2,1-4H3/b19-13-

InChI Key

FSKYDGSNDYHCAJ-UYRXBGFRSA-N

Formula

C21H27NOSi

SMILES

CN(CCC=C1c2ccccc2COc2ccccc21)[Si](C)(C)C

Molecular Weight¹

337.53

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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
ΔvapH°	101.86	kJ/mol	Relay (1.0) Calculated Property
IE	7.60	eV	Relay (1.0) Calculated Property
log10WS	-3.97		Relay (1.0) Calculated Property
logPoct/wat	5.168		Crippen Calculated Property
Inp	[2424.60; 2424.60]
Inp	2424.60		NIST
Inp	2424.60		NIST
Tfus	367.00	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, Standard Gibbs free energy of formation, Acentric Factor 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 Desmethyldoxepin, N-trimethylsilyl-.

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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