Chemical Properties of 2-Propionylpyrrole (CAS 1073-26-3)

InChI

InChI=1S/C7H9NO/c1-2-7(9)6-4-3-5-8-6/h3-5,8H,2H2,1H3

InChI Key

AEJPPSRYXGEVDT-UHFFFAOYSA-N

Formula

C7H9NO

SMILES

CCC(=O)c1ccc[nH]1

Molecular Weight¹

123.15

CAS

1073-26-3

Other Names

• 1H-Pyrrole, 2-propionyl
• Pyrrole, 2-propionyl
• 1-(1H-pyrrol-2-yl)propan-1-one

• 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	0.4507		Relay (1.0) Calculated Property
ΔfG°	13.93	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-117.13	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	67.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.49	eV	Relay (1.0) Calculated Property
log10WS	-1.56		Relay (1.0) Calculated Property
logPoct/wat	1.125		Crippen Calculated Property
McVol	101.580	ml/mol	McGowan Calculated Property
Pc	3763.21	kPa	Relay (1.0-beta) Calculated Property
Inp	[1009.00; 1026.00]
Inp	1009.00		NIST
Inp	1026.00		NIST
Inp	1026.00		NIST
Inp	1009.00		NIST
I	1990.00		NIST
Tboil	501.50	K	Relay (1.0) Calculated Property
Tc	725.03	K	Relay (1.0) Calculated Property
Tfus	355.34	K	Relay (1.0) Calculated Property
Vc	0.381	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Propionylpyrrole.

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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