Chemical Properties of 5-Methoxytryptophol, TMS

InChI

InChI=1S/C17H29NO2Si2/c1-19-15-8-9-17-16(12-15)14(10-11-20-22(5,6)7)13-18(17)21(2,3)4/h8-9,12-13H,10-11H2,1-7H3

InChI Key

ZZDMMBXZYBFWAP-UHFFFAOYSA-N

Formula

C17H29NO2Si2

SMILES

COc1ccc2c(c1)c(CCO[Si](C)(C)C)cn2[Si](C)(C)C

Molecular Weight¹

335.59

• 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	0.7359		Relay (... Calculated Property
ΔfG°	89.92	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-495.94	kJ/mol	Relay (... Calculated Property
ΔvapH°	85.68	kJ/mol	Relay (... Calculated Property
IE	7.63	eV	Relay (... Calculated Property
log10WS	-4.19		Relay (... Calculated Property
logPoct/wat	4.727		Crippen Calculated Property
Pc	931.18	kPa	Relay (... Calculated Property ⚠️
Inp	[2088.00; 2092.00]
Inp	2092.00		NIST
Inp	2088.00		NIST
Inp	2088.00		NIST
Inp	2092.00		NIST
Tboil	637.34	K	Relay (... Calculated Property
Tc	853.30	K	Relay (... Calculated Property
Tfus	333.56	K	Relay (... Calculated Property
Vc	1.071	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 5-Methoxytryptophol, TMS.

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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