Chemical Properties of Alclofenac, TBDMS

InChI

InChI=1S/C17H25ClO3Si/c1-7-10-20-15-9-8-13(11-14(15)18)12-16(19)21-22(5,6)17(2,3)4/h7-9,11H,1,10,12H2,2-6H3

InChI Key

ZDVORYVUQJYAMM-UHFFFAOYSA-N

Formula

C17H25ClO3Si

SMILES

C=CCOc1ccc(CC(=O)O[Si](C)(C)C(C)(C)C)cc1Cl

Molecular Weight¹

340.92

• 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	0.6804		Relay (... Calculated Property
ΔfG°	-143.22	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-657.20	kJ/mol	Relay (... Calculated Property
ΔvapH°	79.39	kJ/mol	Relay (... Calculated Property
IE	8.12	eV	Relay (... Calculated Property
log10WS	-4.62		Relay (... Calculated Property
logPoct/wat	4.996		Crippen Calculated Property
Pc	1517.54	kPa	Relay (... Calculated Property ⚠️
Inp	[2103.00; 2103.00]
Inp	2103.00		NIST
Inp	2103.00		NIST
Tboil	607.46	K	Relay (... Calculated Property
Tc	833.25	K	Relay (... Calculated Property
Tfus	330.38	K	Relay (... Calculated Property
Vc	0.953	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Alclofenac, 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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