Chemical Properties of 3,4-Dimethoxyphenylthylamine, N,N-bis(trimethylsilyl)-

InChI

InChI=1S/C16H31NO2Si2/c1-18-15-10-9-14(13-16(15)19-2)11-12-17(20(3,4)5)21(6,7)8/h9-10,13H,11-12H2,1-8H3

InChI Key

NUORFFQMYGHTFG-UHFFFAOYSA-N

Formula

C16H31NO2Si2

SMILES

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

Molecular Weight¹

325.59

Other Names

• Benzeneethanamine, 3,4-dimethoxy, di-TMS
• 3,4-Dimethoxyphenylethylamine, bis-TMS
• 3,4-Dimethoxyphenethylamine, 2tms 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	0.6629		Relay (1.0) Calculated Property
ΔfG°	97.73	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-491.69	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	73.76	kJ/mol	Relay (1.0) Calculated Property
IE	7.65	eV	Relay (1.0) Calculated Property
log10WS	-2.58		Relay (1.0) Calculated Property
logPoct/wat	4.218		Crippen Calculated Property
Pc	1035.95	kPa	Relay (1.0-beta) Calculated Property
Inp	[1978.00; 1995.80]
Inp	1978.00		NIST
Inp	1995.80		NIST
Inp	1978.00		NIST
Tboil	589.35	K	Relay (1.0) Calculated Property
Tc	780.76	K	Relay (1.0) Calculated Property
Tfus	291.75	K	Relay (1.0) Calculated Property
Vc	1.039	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Dimethoxyphenylthylamine, N,N-bis(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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