Chemical Properties of N-propyl-Octahydroindole

InChI

InChI=1S/C11H21N/c1-2-8-12-9-7-10-5-3-4-6-11(10)12/h10-11H,2-9H2,1H3

InChI Key

WBYBVLUDSFJLEH-UHFFFAOYSA-N

Formula

C11H21N

SMILES

CCCN1CCC2CCCCC21

Molecular Weight¹

167.29

• 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	0.3659		Relay (1.0) Calculated Property
ΔfG°	165.45	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-83.51	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	54.30	kJ/mol	Relay (1.0) Calculated Property
IE	7.42	eV	Relay (1.0) Calculated Property
log10WS	-2.60		Relay (1.0) Calculated Property
logPoct/wat	2.661		Crippen Calculated Property
McVol	154.110	ml/mol	McGowan Calculated Property
Pc	2361.26	kPa	Relay (1.0-beta) Calculated Property
Inp	[1300.00; 1317.00]
Inp	1300.00		NIST
Inp	1317.00		NIST
I	[1467.00; 1477.00]
I	1467.00		NIST
I	1477.00		NIST
Tboil	489.77	K	Relay (1.0) Calculated Property
Tc	715.21	K	Relay (1.0) Calculated Property
Tfus	265.24	K	Relay (1.0) Calculated Property
Vc	0.554	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to N-propyl-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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