Chemical Properties of 3,4-Dimethoxyphenylthylamine, N-trimethylsilyl-

InChI

InChI=1S/C13H23NO2Si/c1-15-12-7-6-11(10-13(12)16-2)8-9-14-17(3,4)5/h6-7,10,14H,8-9H2,1-5H3

InChI Key

XTOHFXVDOGRZMG-UHFFFAOYSA-N

Formula

C13H23NO2Si

SMILES

COc1ccc(CCN[Si](C)(C)C)cc1OC

Molecular Weight¹

253.41

Other Names

• Benzeneethanamine, 3,4-dimethoxy, mono-TMS
• 3,4-Dimethoxyphenethylamine, tms derivative

• 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	0.6464		Relay (1.0) Calculated Property
ΔfG°	27.82	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-387.48	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	75.48	kJ/mol	Relay (1.0) Calculated Property
IE	7.90	eV	Relay (1.0) Calculated Property
log10WS	-1.88		Relay (1.0) Calculated Property
logPoct/wat	2.671		Crippen Calculated Property
Pc	1485.79	kPa	Relay (1.0-beta) Calculated Property
Inp	[1721.50; 1721.50]
Inp	1721.50		NIST
Inp	1721.50		NIST
Tboil	580.04	K	Relay (1.0) Calculated Property
Tc	756.51	K	Relay (1.0) Calculated Property
Tfus	334.02	K	Relay (1.0) Calculated Property
Vc	0.793	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Dimethoxyphenylthylamine, 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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