Chemical Properties of Ethyl «beta»-carboline-3-carboxylate, N-tert.-butyldimethylsilyl-

InChI

InChI=1S/C20H26N2O2Si/c1-7-24-19(23)16-12-15-14-10-8-9-11-17(14)22(18(15)13-21-16)25(5,6)20(2,3)4/h8-13H,7H2,1-6H3

InChI Key

NLTSGXMIQZFLSX-UHFFFAOYSA-N

Formula

C20H26N2O2Si

SMILES

CCOC(=O)c1cc2c3ccccc3n([Si](C)(C)C(C)(C)C)c2cn1

Molecular Weight¹

354.52

• 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	0.7652		Relay (1.0) Calculated Property
ΔfG°	175.20	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-345.02	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	100.79	kJ/mol	Relay (1.0) Calculated Property
IE	7.63	eV	Relay (1.0) Calculated Property
log10WS	-4.97		Relay (1.0) Calculated Property
logPoct/wat	5.220		Crippen Calculated Property
Pc	1128.04	kPa	Relay (1.0-beta) Calculated Property
Inp	[2979.00; 2979.00]
Inp	2979.00		NIST
Inp	2979.00		NIST
Tboil	694.96	K	Relay (1.0) Calculated Property
Tc	993.93	K	Relay (1.0) Calculated Property
Tfus	441.36	K	Relay (1.0) Calculated Property
Vc	1.047	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Ethyl «beta»-carboline-3-carboxylate, N-tert.-butyldimethylsilyl-.

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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