Chemical Properties of N-Trimethylsilylindoleacetic acid, methyl ester

InChI

InChI=1S/C14H19NO2Si/c1-17-14(16)9-11-10-15(18(2,3)4)13-8-6-5-7-12(11)13/h5-8,10H,9H2,1-4H3

InChI Key

OVBJETHPLUQCEW-UHFFFAOYSA-N

Formula

C14H19NO2Si

SMILES

COC(=O)Cc1cn([Si](C)(C)C)c2ccccc12

Molecular Weight¹

261.39

Other Names

• IAA, MeTMS
• Indole-3-acetic acid, (Me,TMS)
• Methyl 3-indolylacetate, tms derivative

• 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	0.6102		Relay (1.0) Calculated Property
ΔfG°	43.86	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-394.18	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	85.07	kJ/mol	Relay (1.0) Calculated Property
IE	7.79	eV	Relay (1.0) Calculated Property
log10WS	-3.33		Relay (1.0) Calculated Property
logPoct/wat	3.040		Crippen Calculated Property
Pc	1650.09	kPa	Relay (1.0-beta) Calculated Property
Inp	[1853.00; 1869.00]
Inp	1860.00		NIST
Inp	1869.00		NIST
Inp	1853.00		NIST
Tboil	603.20	K	Relay (1.0) Calculated Property
Tc	844.78	K	Relay (1.0) Calculated Property
Tfus	332.45	K	Relay (1.0) Calculated Property
Vc	0.782	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to N-Trimethylsilylindoleacetic acid, methyl ester.

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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