Chemical Properties of Tolmetin, TBDMS

InChI

InChI=1S/C21H29NO3Si/c1-15-8-10-16(11-9-15)20(24)18-13-12-17(22(18)5)14-19(23)25-26(6,7)21(2,3)4/h8-13H,14H2,1-7H3

InChI Key

KEVJKOBQVLWWFP-UHFFFAOYSA-N

Formula

C21H29NO3Si

SMILES

Cc1ccc(C(=O)c2ccc(CC(=O)O[Si](C)(C)C(C)(C)C)n2C)cc1

Molecular Weight¹

371.55

• 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	0.8152		Relay (1.0) Calculated Property
ΔfG°	-16.18	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-587.68	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	100.34	kJ/mol	Relay (1.0) Calculated Property
IE	7.99	eV	Relay (1.0) Calculated Property
log10WS	-4.24		Relay (1.0) Calculated Property
logPoct/wat	4.655		Crippen Calculated Property
Pc	1170.09	kPa	Relay (1.0-beta) Calculated Property
Inp	[2661.40; 2661.40]
Inp	2661.40		NIST
Inp	2661.40		NIST
Tboil	657.73	K	Relay (1.0) Calculated Property
Tc	924.15	K	Relay (1.0) Calculated Property
Tfus	380.07	K	Relay (1.0) Calculated Property
Vc	1.123	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Tolmetin, 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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