Chemical Properties of 5-Methoxy-2,4-dimethyl-1H-indole

InChI

InChI=1S/C11H13NO/c1-7-6-9-8(2)11(13-3)5-4-10(9)12-7/h4-6,12H,1-3H3

InChI Key

GRXIPOZSDQNWRO-UHFFFAOYSA-N

Formula

C11H13NO

SMILES

COc1ccc2[nH]c(C)cc2c1C

Molecular Weight¹

175.23

• 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.
• McVol : McGowan's characteristic volume (ml/mol).
• 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	0.5453		Relay (... Calculated Property
ΔfG°	119.15	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-64.36	kJ/mol	Relay (... Calculated Property
ΔvapH°	81.46	kJ/mol	Relay (... Calculated Property
IE	7.03	eV	Relay (... Calculated Property
log10WS	-3.17		Relay (... Calculated Property
logPoct/wat	2.311		Crippen Calculated Property
McVol	142.780	ml/mol	McGowan Calculated Property
Pc	3479.80	kPa	Relay (... Calculated Property ⚠️
Inp	[1719.00; 1719.00]
Inp	1719.00		NIST
Inp	1719.00		NIST
Tboil	577.19	K	Relay (... Calculated Property
Tc	832.43	K	Relay (... Calculated Property
Tfus	411.99	K	Relay (... Calculated Property
Vc	0.533	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 5-Methoxy-2,4-dimethyl-1H-indole.

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
• McGowan Method
• NIST Webbook

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