Chemical Properties of Clenbuterol TMS derivative (CAS 129138-61-0)

InChI

InChI=1S/C15H26Cl2N2OSi/c1-15(2,3)19-9-13(20-21(4,5)6)10-7-11(16)14(18)12(17)8-10/h7-8,13,19H,9,18H2,1-6H3

InChI Key

SUUGLXIKEMNASC-UHFFFAOYSA-N

Formula

C15H26Cl2N2OSi

SMILES

CC(C)(C)NCC(O[Si](C)(C)C)c1cc(Cl)c(N)c(Cl)c1

Molecular Weight¹

349.37

CAS

129138-61-0

Other Names

• Clenbuterol, trimethylsilyl ether
• Clenbuterol O-TMS

• 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	0.6977		Relay (... Calculated Property
ΔfG°	93.21	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-392.43	kJ/mol	Relay (... Calculated Property
ΔvapH°	85.24	kJ/mol	Relay (... Calculated Property
IE	7.67	eV	Relay (... Calculated Property
log10WS	-3.30		Relay (... Calculated Property
logPoct/wat	4.856		Crippen Calculated Property
Pc	1155.73	kPa	Relay (... Calculated Property ⚠️
Inp	[1995.00; 1995.00]
Inp	1995.00		NIST
Inp	1995.00		NIST
Tboil	588.70	K	Relay (... Calculated Property
Tc	843.05	K	Relay (... Calculated Property
Tfus	364.94	K	Relay (... Calculated Property
Vc	0.990	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Clenbuterol TMS derivative.

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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