Chemical Properties of 5-methyl-N-isobutyl 3-pyrroline

InChI

InChI=1S/C9H17N/c1-8(2)7-10-6-4-5-9(10)3/h4-5,8-9H,6-7H2,1-3H3

InChI Key

AQGPGTSPNDCWCK-UHFFFAOYSA-N

Formula

C9H17N

SMILES

CC(C)CN1CC=CC1C

Molecular Weight¹

139.24

• 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 : 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	0.3292		Relay (... Calculated Property
ΔfG°	187.30	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-27.45	kJ/mol	Relay (... Calculated Property
ΔvapH°	52.81	kJ/mol	Relay (... Calculated Property
IE	7.66	eV	Relay (... Calculated Property
log10WS	-1.33		Relay (... Calculated Property
logPoct/wat	1.903		Crippen Calculated Property
McVol	132.490	ml/mol	McGowan Calculated Property
Pc	2689.75	kPa	Relay (... Calculated Property ⚠️
I	[1237.00; 1237.00]
I	1237.00		NIST
I	1237.00		NIST
Tboil	425.03	K	Relay (... Calculated Property
Tc	595.82	K	Relay (... Calculated Property
Tfus	225.70	K	Relay (... Calculated Property
Vc	0.481	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 5-methyl-N-isobutyl 3-pyrroline.

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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