Chemical Properties of Tiaprofenic acid, TBDMS

InChI

InChI=1S/C20H26O3SSi/c1-14(19(22)23-25(5,6)20(2,3)4)16-12-13-17(24-16)18(21)15-10-8-7-9-11-15/h7-14H,1-6H3

InChI Key

FFDCEKNXLKYIHB-UHFFFAOYSA-N

Formula

C20H26O3SSi

SMILES

CC(C(=O)O[Si](C)(C)C(C)(C)C)c1ccc(C(=O)c2ccccc2)s1

Molecular Weight¹

374.57

• 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	0.6981		Relay (1.0) Calculated Property
ΔfG°	-94.25	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-569.16	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	99.20	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-4.68		Relay (1.0) Calculated Property
logPoct/wat	5.631		Crippen Calculated Property
Pc	1324.04	kPa	Relay (1.0-beta) Calculated Property
Inp	[2590.70; 2590.70]
Inp	2590.70		NIST
Inp	2590.70		NIST
Tboil	648.70	K	Relay (1.0) Calculated Property
Tc	903.05	K	Relay (1.0) Calculated Property
Tfus	381.06	K	Relay (1.0) Calculated Property
Vc	1.069	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Tiaprofenic acid, 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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