Chemical Properties of 2-acetyl-4(3)-methylpyrrole

InChI

InChI=1S/C7H9NO/c1-5-3-7(6(2)9)8-4-5/h3-4,8H,1-2H3

InChI Key

FTZSIAYCTJFZPV-UHFFFAOYSA-N

Formula

C7H9NO

SMILES

CC(=O)c1cc(C)c[nH]1

Molecular Weight¹

123.15

• 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	0.4656		Relay (1.0) Calculated Property
ΔfG°	-2.42	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-141.51	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	71.52	kJ/mol	Relay (1.0) Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
log10WS	-1.45		Relay (1.0) Calculated Property
logPoct/wat	1.044		Crippen Calculated Property
McVol	101.580	ml/mol	McGowan Calculated Property
Pc	4224.41	kPa	Relay (1.0-beta) Calculated Property
I	[2036.00; 2036.00]
I	2036.00		NIST
I	2036.00		NIST
Tboil	508.47	K	Relay (1.0) Calculated Property
Tc	727.35	K	Relay (1.0) Calculated Property
Tfus	371.82	K	Relay (1.0) Calculated Property
Vc	0.383	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-acetyl-4(3)-methylpyrrole.

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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