Chemical Properties of Lonazolac, TBDMS

InChI

InChI=1S/C23H27ClN2O2Si/c1-23(2,3)29(4,5)28-21(27)15-18-16-26(20-9-7-6-8-10-20)25-22(18)17-11-13-19(24)14-12-17/h6-14,16H,15H2,1-5H3

InChI Key

XDNOBGVWQYDZEX-UHFFFAOYSA-N

Formula

C23H27ClN2O2Si

SMILES

CC(C)(C)[Si](C)(C)OC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1

Molecular Weight¹

427.01

• 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	0.7890		Relay (... Calculated Property
ΔfG°	195.27	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-260.98	kJ/mol	Relay (... Calculated Property
ΔvapH°	124.93	kJ/mol	Relay (... Calculated Property
IE	7.94	eV	Relay (... Calculated Property
log10WS	-5.45		Relay (... Calculated Property
logPoct/wat	6.284		Crippen Calculated Property
Pc	1199.90	kPa	Relay (... Calculated Property ⚠️
Inp	[3045.10; 3045.10]
Inp	3045.10		NIST
Inp	3045.10		NIST
Tboil	728.02	K	Relay (... Calculated Property
Tc	1020.76	K	Relay (... Calculated Property
Tfus	384.07	K	Relay (... Calculated Property
Vc	1.201	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Lonazolac, TBDMS.

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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