Chemical Properties of (.+/-.)-Baclofen, trimethylsilyl ester

InChI

InChI=1S/C13H20ClNO2Si/c1-18(2,3)17-13(16)8-11(9-15)10-4-6-12(14)7-5-10/h4-7,11H,8-9,15H2,1-3H3

InChI Key

ZVXVIXWMWGWEAD-UHFFFAOYSA-N

Formula

C13H20ClNO2Si

SMILES

C[Si](C)(C)OC(=O)CC(CN)c1ccc(Cl)cc1

Molecular Weight¹

285.84

Other Names

• (.+/-.)-Baclofen, 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	0.6307		Relay (1.0) Calculated Property
ΔfG°	-88.82	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-529.44	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	83.14	kJ/mol	Relay (1.0) Calculated Property
IE	8.38	eV	Relay (1.0) Calculated Property
log10WS	-3.26		Relay (1.0) Calculated Property
logPoct/wat	3.151		Crippen Calculated Property
Pc	1656.76	kPa	Relay (1.0-beta) Calculated Property
Inp	[1866.80; 1866.80]
Inp	1866.80		NIST
Inp	1866.80		NIST
Tboil	586.42	K	Relay (1.0) Calculated Property
Tc	782.25	K	Relay (1.0) Calculated Property
Tfus	378.24	K	Relay (1.0) Calculated Property
Vc	0.795	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to (.+/-.)-Baclofen, trimethylsilyl ester.

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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