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

InChI

InChI=1S/C22H37NO3Si2/c1-21(2,3)27(7,8)25-17-11-12-19-18(14-17)16(15-23-19)13-20(24)26-28(9,10)22(4,5)6/h11-12,14-15,23H,13H2,1-10H3

InChI Key

GGKJAYRHFFVMTG-UHFFFAOYSA-N

Formula

C22H37NO3Si2

SMILES

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

Molecular Weight¹

419.71

Other Names

• 5-Hydroxyindoleacetic 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	0.8174		Relay (1.0) Calculated Property
ΔfG°	-53.36	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-795.89	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	98.27	kJ/mol	Relay (1.0) Calculated Property
IE	7.36	eV	Relay (1.0) Calculated Property
log10WS	-5.22		Relay (1.0) Calculated Property
logPoct/wat	6.161		Crippen Calculated Property
Pc	1217.01	kPa	Relay (1.0-beta) Calculated Property
Inp	[2682.60; 2682.60]
Inp	2682.60		NIST
Inp	2682.60		NIST
Tboil	666.41	K	Relay (1.0) Calculated Property
Tc	957.38	K	Relay (1.0) Calculated Property
Tfus	418.40	K	Relay (1.0) Calculated Property
Vc	1.331	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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