Chemical Properties of (.+/-.)-4-Methylephedrine, N-trimethylsilyl-, trimethylsilyl ether

InChI

InChI=1S/C17H33NOSi2/c1-14-10-12-16(13-11-14)17(19-21(7,8)9)15(2)18(3)20(4,5)6/h10-13,15,17H,1-9H3

InChI Key

IKYUYPPRWWDLFX-UHFFFAOYSA-N

Formula

C17H33NOSi2

SMILES

Cc1ccc(C(O[Si](C)(C)C)C(C)N(C)[Si](C)(C)C)cc1

Molecular Weight¹

323.62

• 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	0.5386		Relay (1.0) Calculated Property
ΔfG°	136.23	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-404.04	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	69.24	kJ/mol	Relay (1.0) Calculated Property
IE	8.01	eV	Relay (1.0) Calculated Property
log10WS	-2.37		Relay (1.0) Calculated Property
logPoct/wat	5.043		Crippen Calculated Property
Pc	1143.10	kPa	Relay (1.0-beta) Calculated Property
Inp	[1605.00; 1605.00]
Inp	1605.00		NIST
Inp	1605.00		NIST
Tboil	563.02	K	Relay (1.0) Calculated Property
Tc	756.79	K	Relay (1.0) Calculated Property
Tfus	314.20	K	Relay (1.0) Calculated Property
Vc	1.080	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to (.+/-.)-4-Methylephedrine, N-trimethylsilyl-, trimethylsilyl ether.

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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