Chemical Properties of N-ethyl-Octahydroindole

InChI

InChI=1S/C10H19N/c1-2-11-8-7-9-5-3-4-6-10(9)11/h9-10H,2-8H2,1H3

InChI Key

GSXWVOZWKACRTO-UHFFFAOYSA-N

Formula

C10H19N

SMILES

CCN1CCC2CCCCC21

Molecular Weight¹

153.26

• 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.
• I : 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	0.3232		Relay (1.0) Calculated Property
ΔfG°	171.54	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-65.89	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	51.18	kJ/mol	Relay (1.0) Calculated Property
IE	7.56	eV	Relay (1.0) Calculated Property
log10WS	-2.02		Relay (1.0) Calculated Property
logPoct/wat	2.271		Crippen Calculated Property
McVol	140.020	ml/mol	McGowan Calculated Property
Pc	2659.82	kPa	Relay (1.0-beta) Calculated Property
Inp	[1202.00; 1220.00]
Inp	1202.00		NIST
Inp	1220.00		NIST
I	[1377.00; 1394.00]
I	1377.00		NIST
I	1394.00		NIST
Tboil	473.09	K	Relay (1.0) Calculated Property
Tc	706.24	K	Relay (1.0) Calculated Property
Tfus	258.66	K	Relay (1.0) Calculated Property
Vc	0.498	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to N-ethyl-Octahydroindole.

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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