Chemical Properties of 1H-Indole-2-carboxylic acid, 1-(trimethylsilyl)-, ethyl ester (CAS 74367-41-2)

InChI

InChI=1S/C14H19NO2Si/c1-5-17-14(16)13-10-11-8-6-7-9-12(11)15(13)18(2,3)4/h6-10H,5H2,1-4H3

InChI Key

BMEFDGCRVFIDNN-UHFFFAOYSA-N

Formula

C14H19NO2Si

SMILES

CCOC(=O)c1cc2ccccc2n1[Si](C)(C)C

Molecular Weight¹

261.39

CAS

74367-41-2

Other Names

• Ethyl indole-2-carboxylate, N-trimethylsilyl-

• ω : Acentric Factor.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6481		Relay (1.0) Calculated Property
ΔfH°gas	-384.84	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	80.40	kJ/mol	Relay (1.0) Calculated Property
IE	7.88	eV	Relay (1.0) Calculated Property
log10WS	-3.73		Relay (1.0) Calculated Property
logPoct/wat	3.501		Crippen Calculated Property
Pc	1619.16	kPa	Relay (1.0-beta) Calculated Property
Inp	[1862.00; 1862.00]
Inp	1862.00		NIST
Inp	1862.00		NIST
Tboil	607.94	K	Relay (1.0) Calculated Property
Tc	841.57	K	Relay (1.0) Calculated Property
Tfus	326.42	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 1H-Indole-2-carboxylic acid, 1-(trimethylsilyl)-, ethyl 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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