Chemical Properties of Fentiazac, TBDMS

InChI

InChI=1S/C23H26ClNO2SSi/c1-23(2,3)29(4,5)27-20(26)15-19-21(16-11-13-18(24)14-12-16)25-22(28-19)17-9-7-6-8-10-17/h6-14H,15H2,1-5H3

InChI Key

OMLLTZCILJHLIW-UHFFFAOYSA-N

Formula

C23H26ClNO2SSi

SMILES

CC(C)(C)[Si](C)(C)OC(=O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1

Molecular Weight¹

444.06

• 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	0.7462		Relay (1.0) Calculated Property
ΔfG°	147.40	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-301.50	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	126.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.08	eV	Relay (1.0) Calculated Property
log10WS	-6.08		Relay (1.0) Calculated Property
logPoct/wat	7.221		Crippen Calculated Property
Pc	1167.65	kPa	Relay (1.0-beta) Calculated Property
Inp	[3123.90; 3123.90]
Inp	3123.90		NIST
Inp	3123.90		NIST
Tboil	728.04	K	Relay (1.0) Calculated Property
Tc	1017.97	K	Relay (1.0) Calculated Property
Tfus	380.89	K	Relay (1.0) Calculated Property
Vc	1.205	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Fentiazac, 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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