Chemical Properties of 3-Indoleacetic acid, N-(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester

InChI

InChI=1S/C22H37NO2Si2/c1-21(2,3)26(7,8)23-16-17(18-13-11-12-14-19(18)23)15-20(24)25-27(9,10)22(4,5)6/h11-14,16H,15H2,1-10H3

InChI Key

BCKSWQNIPZLCEE-UHFFFAOYSA-N

Formula

C22H37NO2Si2

SMILES

CC(C)(C)[Si](C)(C)OC(=O)Cc1cn([Si](C)(C)C(C)(C)C)c2ccccc12

Molecular Weight¹

403.71

Other Names

• 3-Indoleacetic acid, 2tbdms 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	0.7478		Relay (... Calculated Property
ΔfG°	99.15	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-627.72	kJ/mol	Relay (... Calculated Property
ΔvapH°	89.52	kJ/mol	Relay (... Calculated Property
IE	7.55	eV	Relay (... Calculated Property
log10WS	-5.19		Relay (... Calculated Property
logPoct/wat	6.586		Crippen Calculated Property
Pc	1069.65	kPa	Relay (... Calculated Property ⚠️
Inp	[2421.90; 2421.90]
Inp	2421.90		NIST
Inp	2421.90		NIST
Tboil	639.86	K	Relay (... Calculated Property
Tc	928.74	K	Relay (... Calculated Property
Tfus	388.17	K	Relay (... Calculated Property
Vc	1.301	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 3-Indoleacetic acid, N-(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl 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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