Chemical Properties of 5-Hydroxyindole-3-acetic acid, tert-butyldimethylsilyl ester

InChI

InChI=1S/C16H23NO3Si/c1-16(2,3)21(4,5)20-15(19)8-11-10-17-14-7-6-12(18)9-13(11)14/h6-7,9-10,17-18H,8H2,1-5H3

InChI Key

QSIHHEUPBPLBSE-UHFFFAOYSA-N

Formula

C16H23NO3Si

SMILES

CC(C)(C)[Si](C)(C)OC(=O)Cc1c[nH]c2ccc(O)cc12

Molecular Weight¹

305.44

Other Names

• 5-Hydroxyindoleacetic acid, tbdms 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	0.7941		Relay (1.0) Calculated Property
ΔfG°	-113.43	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-605.17	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	106.95	kJ/mol	Relay (1.0) Calculated Property
IE	7.42	eV	Relay (1.0) Calculated Property
log10WS	-3.62		Relay (1.0) Calculated Property
logPoct/wat	3.483		Crippen Calculated Property
Pc	2239.36	kPa	Relay (1.0-beta) Calculated Property
Inp	[2470.60; 2470.60]
Inp	2470.60		NIST
Inp	2470.60		NIST
Tboil	646.49	K	Relay (1.0) Calculated Property
Tc	942.61	K	Relay (1.0) Calculated Property
Tfus	449.76	K	Relay (1.0) Calculated Property
Vc	0.872	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 5-Hydroxyindole-3-acetic acid, 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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