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

InChI

InChI=1S/C14H25NOSi/c1-11-7-9-13(10-8-11)14(12(2)15-3)16-17(4,5)6/h7-10,12,14-15H,1-6H3

InChI Key

SAYUHQLOZAWBQT-UHFFFAOYSA-N

Formula

C14H25NOSi

SMILES

CNC(C)C(O[Si](C)(C)C)c1ccc(C)cc1

Molecular Weight¹

251.44

• 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	0.5167		Relay (1.0) Calculated Property
ΔfG°	90.50	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-284.20	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	70.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.16	eV	Relay (1.0) Calculated Property
log10WS	-1.49		Relay (1.0) Calculated Property
logPoct/wat	3.496		Crippen Calculated Property
Pc	1647.23	kPa	Relay (1.0-beta) Calculated Property
Inp	[1472.40; 1472.40]
Inp	1472.40		NIST
Inp	1472.40		NIST
Tboil	540.10	K	Relay (1.0) Calculated Property
Tc	729.27	K	Relay (1.0) Calculated Property
Tfus	330.41	K	Relay (1.0) Calculated Property
Vc	0.814	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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