Chemical Properties of 4-Bromo-2,5-dimethoxyphenethylamine, N-trimethylsilyl-

InChI

InChI=1S/C13H22BrNO2Si/c1-16-12-9-11(14)13(17-2)8-10(12)6-7-15-18(3,4)5/h8-9,15H,6-7H2,1-5H3

InChI Key

LTSMHXBNVXWRNH-UHFFFAOYSA-N

Formula

C13H22BrNO2Si

SMILES

COc1cc(CCN[Si](C)(C)C)c(OC)cc1Br

Molecular Weight¹

332.31

• 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	0.6624		Relay (... Calculated Property
ΔfG°	-0.12	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-380.34	kJ/mol	Relay (... Calculated Property
ΔvapH°	81.54	kJ/mol	Relay (... Calculated Property
IE	7.81	eV	Relay (... Calculated Property
log10WS	-3.27		Relay (... Calculated Property
logPoct/wat	3.433		Crippen Calculated Property
Pc	1427.21	kPa	Relay (... Calculated Property ⚠️
Inp	[1949.90; 1949.90]
Inp	1949.90		NIST
Inp	1949.90		NIST
Tboil	609.75	K	Relay (... Calculated Property
Tc	801.14	K	Relay (... Calculated Property
Tfus	375.80	K	Relay (... Calculated Property
Vc	0.836	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 4-Bromo-2,5-dimethoxyphenethylamine, 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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