Chemical Properties of 1H-Indole-3-acetic acid, 5-methoxy-1-(trimethylsilyl)-, trimethylsilyl ester (CAS 55887-55-3)

InChI

InChI=1S/C17H27NO3Si2/c1-20-14-8-9-16-15(11-14)13(12-18(16)22(2,3)4)10-17(19)21-23(5,6)7/h8-9,11-12H,10H2,1-7H3

InChI Key

FVDDEAKDRQGQLG-UHFFFAOYSA-N

Formula

C17H27NO3Si2

SMILES

COc1ccc2c(c1)c(CC(=O)O[Si](C)(C)C)cn2[Si](C)(C)C

Molecular Weight¹

349.57

CAS

55887-55-3

Other Names

• Indole-3-acetic acid, 5-methoxy, TMS

• 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	0.7784		Relay (1.0) Calculated Property
ΔfG°	-63.26	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-680.90	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	90.74	kJ/mol	Relay (1.0) Calculated Property
IE	7.53	eV	Relay (1.0) Calculated Property
log10WS	-4.22		Relay (1.0) Calculated Property
logPoct/wat	4.254		Crippen Calculated Property
Pc	883.50	kPa	Relay (1.0-beta) Calculated Property
Inp	[2110.00; 2110.00]
Inp	2110.00		NIST
Inp	2110.00		NIST
Tboil	637.14	K	Relay (1.0) Calculated Property
Tc	874.66	K	Relay (1.0) Calculated Property
Tfus	357.02	K	Relay (1.0) Calculated Property
Vc	1.077	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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