Chemical Properties of 1H-Pyrrole-2-carboxaldehyde, 5-methyl-

InChI

InChI=1S/C6H7NO/c1-5-2-3-6(4-8)7-5/h2-4,7H,1H3

InChI Key

LFWLUDLUCDRDAF-UHFFFAOYSA-N

Formula

C6H7NO

SMILES

Cc1ccc(C=O)[nH]1

Molecular Weight¹

109.13

Other Names

• 2-Formyl-5-methylpyrrole
• 5-Methyl-2-formylpyrrole
• 5-Methyl-2-pyrrolaldehyde
• 5-Methylpyrrole-2-carboxaldehyde
• 5-methyl-(1H)-pyrrole-2-carbaldehyde
• 5-methyl-1H-pyrrole-2-carboxaldehyde
• Pyrrole-2-carboxaldehyde, 5-methyl

• ω : Acentric Factor.
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4446		Relay (1.0) Calculated Property
ΔfH°gas	-69.43	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	65.94	kJ/mol	Relay (1.0) Calculated Property
IE	8.58	eV	Relay (1.0) Calculated Property
logPoct/wat	0.654		Crippen Calculated Property
McVol	87.490	ml/mol	McGowan Calculated Property
Pc	5334.12	kPa	Relay (1.0-beta) Calculated Property
Inp	[1092.00; 1105.00]
Inp	1092.00		NIST
Inp	1105.00		NIST
Inp	1099.00		NIST
I	[2030.00; 2079.00]
I	2046.00		NIST
I	2030.00		NIST
I	2079.00		NIST
I	2079.00		NIST
Tboil	498.31	K	Relay (1.0) Calculated Property
Tc	746.36	K	Relay (1.0) Calculated Property
Tfus	329.09	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l 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-2-carboxaldehyde, 5-methyl-.

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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