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

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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.
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6243		Relay (1.0) Calculated Property
ΔfG°	320.18	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-42.81	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	100.60	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
Pc	1226.81	kPa	Relay (1.0-beta) Calculated Property
Inp	[2424.60; 2424.60]
Inp	2424.60		NIST
Inp	2424.60		NIST
Tboil	680.87	K	Relay (1.0) Calculated Property
Tc	929.72	K	Relay (1.0) Calculated Property
Tfus	377.57	K	Relay (1.0) Calculated Property
Vc	1.022	m3/kmol	Relay (1.0) Calculated Property

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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