Chemical Properties of 2-acetyl-N-isobutenyl-pyrrole

InChI

InChI=1S/C10H13NO/c1-8(2)7-11-6-4-5-10(11)9(3)12/h4-7H,1-3H3

InChI Key

INPDUHMRCHDTIC-UHFFFAOYSA-N

Formula

C10H13NO

SMILES

CC(=O)c1cccn1C=C(C)C

Molecular Weight¹

163.22

• 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	0.4850		Relay (1.0) Calculated Property
ΔfG°	93.07	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-83.10	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	65.91	kJ/mol	Relay (1.0) Calculated Property
IE	7.92	eV	Relay (1.0) Calculated Property
log10WS	-2.50		Relay (1.0) Calculated Property
logPoct/wat	2.571		Crippen Calculated Property
McVol	139.550	ml/mol	McGowan Calculated Property
Pc	2875.92	kPa	Relay (1.0-beta) Calculated Property
I	[1874.00; 1874.00]
I	1874.00		NIST
I	1874.00		NIST
Tboil	525.02	K	Relay (1.0) Calculated Property
Tc	746.93	K	Relay (1.0) Calculated Property
Tfus	307.29	K	Relay (1.0) Calculated Property
Vc	0.518	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-acetyl-N-isobutenyl-pyrrole.

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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