Chemical Properties of 1H-Indole-3-acetic acid, 1-(trimethylsilyl)-5-[(trimethylsilyl)oxy]-, trimethylsilyl ester (CAS 55268-67-2)

InChI

InChI=1S/C19H33NO3Si3/c1-24(2,3)20-14-15(12-19(21)23-26(7,8)9)17-13-16(10-11-18(17)20)22-25(4,5)6/h10-11,13-14H,12H2,1-9H3

InChI Key

RUKKQUFMPLELJQ-UHFFFAOYSA-N

Formula

C19H33NO3Si3

SMILES

C[Si](C)(C)OC(=O)Cc1cn([Si](C)(C)C)c2ccc(O[Si](C)(C)C)cc12

Molecular Weight¹

407.73

CAS

55268-67-2

Other Names

• 5-Hydroxyindoleacetic acid (3TMS)
• 5-Hydroxyindole-3-acetic acid, tris-TMS
• Indol-3-acetic acid, 5-hydroxy, (3TMS)-
• Indol-3-acetic acid, 5-hydroxy, tri-TMS
• Indole-3-acetic acid, 5-hydroxy, tris-TMS
• Indole-3-acetic acid, 5-hydroxy, TMS
• 5-Hydroxyindoleacetic acid (tms)
• Indol-3-acetic acid, 5-hydroxy, TMS
• 5-Hydroxyindole-3-acetic acid, TMS
• 5-Hydroxyindoleacetic acid, 3tms 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	0.8143		Relay (1.0) Calculated Property
ΔfG°	-73.54	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-838.77	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	89.38	kJ/mol	Relay (1.0) Calculated Property
IE	7.75	eV	Relay (1.0) Calculated Property
log10WS	-4.54		Relay (1.0) Calculated Property
logPoct/wat	5.459		Crippen Calculated Property
Pc	440.43	kPa	Relay (1.0-beta) Calculated Property
Inp	[2168.00; 2249.00]
Inp	2199.00		NIST
Inp	2239.00		NIST
Inp	2168.00		NIST
Inp	2200.00		NIST
Inp	2204.00		NIST
Inp	2199.00		NIST
Inp	2249.00		NIST
Inp	2190.00		NIST
Inp	2249.00		NIST
Inp	2199.00		NIST
Tboil	637.34	K	Relay (1.0) Calculated Property
Tc	884.35	K	Relay (1.0) Calculated Property
Tfus	366.79	K	Relay (1.0) Calculated Property
Vc	1.303	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1H-Indole-3-acetic acid, 1-(trimethylsilyl)-5-[(trimethylsilyl)oxy]-, trimethylsilyl 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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