Chemical Properties of 2-Propenoic acid, 3-[1-(trimethylsilyl)-1H-indol-3-yl]-, trimethylsilyl ester (CAS 55124-88-4)

InChI

InChI=1S/C17H25NO2Si2/c1-21(2,3)18-13-14(15-9-7-8-10-16(15)18)11-12-17(19)20-22(4,5)6/h7-13H,1-6H3/b12-11+

InChI Key

QGUSJWZJGZJSGS-VAWYXSNFSA-N

Formula

C17H25NO2Si2

SMILES

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

Molecular Weight¹

331.56

CAS

55124-88-4

Other Names

• Trimethylsilyl 3-[1-(trimethylsilyl)-1H-indol-3-yl]-2-propenoate
• Indole-3-acrylic acid, N,O-bis-TMS
• Indole-3-acrylic acid, TMS
• Indoleacrylic acid, 2tms 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	0.6762		Relay (1.0) Calculated Property
ΔfG°	73.78	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-499.17	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	88.46	kJ/mol	Relay (1.0) Calculated Property
IE	8.13	eV	Relay (1.0) Calculated Property
log10WS	-4.45		Relay (1.0) Calculated Property
logPoct/wat	4.716		Crippen Calculated Property
Pc	1039.99	kPa	Relay (1.0-beta) Calculated Property
Inp	[2357.00; 2402.20]
Inp	2357.00		NIST
Inp	2402.20		NIST
Inp	2357.00		NIST
Inp	2402.20		NIST
Tboil	616.74	K	Relay (1.0) Calculated Property
Tc	864.77	K	Relay (1.0) Calculated Property
Tfus	363.44	K	Relay (1.0) Calculated Property
Vc	1.016	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenoic acid, 3-[1-(trimethylsilyl)-1H-indol-3-yl]-, 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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