Chemical Properties of (-)-Deoxyephedrine, N-trimethylsilyl-

InChI

InChI=1S/C13H23NSi/c1-12(14(2)15(3,4)5)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3

InChI Key

NUTIXYUHENBVIH-UHFFFAOYSA-N

Formula

C13H23NSi

SMILES

CC(Cc1ccccc1)N(C)[Si](C)(C)C

Molecular Weight¹

221.41

Other Names

• (-)-Deoxyephedrine, 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	0.3987		Relay (1.0) Calculated Property
ΔfG°	259.03	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-81.43	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	60.76	kJ/mol	Relay (1.0) Calculated Property
IE	8.13	eV	Relay (1.0) Calculated Property
log10WS	-1.59		Relay (1.0) Calculated Property
logPoct/wat	3.384		Crippen Calculated Property
Pc	1885.13	kPa	Relay (1.0-beta) Calculated Property
Inp	[1398.60; 1398.60]
Inp	1398.60		NIST
Inp	1398.60		NIST
Tboil	526.04	K	Relay (1.0) Calculated Property
Tc	720.62	K	Relay (1.0) Calculated Property
Tfus	252.49	K	Relay (1.0) Calculated Property
Vc	0.741	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to (-)-Deoxyephedrine, 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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