Chemical Properties of 1H-Pyrrole, 1-methyl-2-pentyl

InChI

InChI=1S/C10H17N/c1-3-4-5-7-10-8-6-9-11(10)2/h6,8-9H,3-5,7H2,1-2H3

InChI Key

GVZIOFGTDMVMSK-UHFFFAOYSA-N

Formula

C10H17N

SMILES

CCCCCc1cccn1C

Molecular Weight¹

151.25

• ω : Acentric Factor.
• 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	0.4897		Relay (1.0) Calculated Property
ΔvapH°	62.35	kJ/mol	Relay (1.0) Calculated Property
IE	7.76	eV	Relay (1.0) Calculated Property
log10WS	-2.32		Relay (1.0) Calculated Property
logPoct/wat	2.758		Crippen Calculated Property
McVol	142.280	ml/mol	McGowan Calculated Property
Pc	2605.98	kPa	Relay (1.0-beta) Calculated Property
Inp	[1252.00; 1252.00]
Inp	1252.00		NIST
Inp	1252.00		NIST
Inp	1252.00		NIST
Tboil	489.38	K	Relay (1.0) Calculated Property
Tc	692.90	K	Relay (1.0) Calculated Property
Tfus	212.05	K	Relay (1.0) Calculated Property
Vc	0.557	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 1H-Pyrrole, 1-methyl-2-pentyl.

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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