Chemical Properties of 1H-Pyrrole-2-carboxaldehyde, 1-methyl- (CAS 1192-58-1)

InChI

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

InChI Key

OUKQTRFCDKSEPL-UHFFFAOYSA-N

Formula

C6H7NO

SMILES

Cn1cccc1C=O

Molecular Weight¹

109.13

CAS

1192-58-1

Other Names

• 2-Formyl-1-methylpyrrole
• N-Methyl-2-formylpyrrole
• 1-Methyl-2-formylpyrrole
• N-Methylpyrrole-2-carboxaldehyde
• 1-Methyl-1H-pyrrole-2-carboxaldehyde
• 1-Methylpyrrole-2-carboxaldehyde
• Pyrrole-2-carboxaldehyde, 1-methyl-
• N-Methylpyrrole-2-carbaldehyde
• 1-Methyl-1H-pyrrole-2-carbaldehyde
• 1-Methyl-2-pyrrolaldehyde
• 1-Methyl-2-pyrrolecarboxaldehyde
• 1-Methylpyrrole-2-carbaldehyde
• 1-Methylpyrrole-2-carboxyaldehyde
• N-Methylpyrrole-2-carboxy aldehyde
• NSC 72386
• 1-methylformylpyrrole

• 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_boilr : Boiling point at reduced pressure (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	0.4242		Relay (1.0) Calculated Property
ΔfG°	70.78	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-46.93	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	56.64	kJ/mol	Relay (1.0) Calculated Property
IE	8.31	eV	Relay (1.0) Calculated Property
log10WS	-0.16		Relay (1.0) Calculated Property
logPoct/wat	0.838		Crippen Calculated Property
McVol	87.490	ml/mol	McGowan Calculated Property
Pc	5094.78	kPa	Relay (1.0-beta) Calculated Property
Inp	[964.00; 1022.00]
Inp	1022.00		NIST
Inp	1022.00		NIST
Inp	970.00		NIST
Inp	964.00		NIST
Inp	991.00		NIST
Inp	1020.00		NIST
Inp	1010.00		NIST
Inp	970.00		NIST
Inp	1010.00		NIST
Inp	1015.00		NIST
Inp	1016.00		NIST
Inp	986.00		NIST
Inp	975.00		NIST
Inp	1022.00		NIST
Inp	1010.00		NIST
I	[1583.00; 1661.00]
I	1637.00		NIST
I	1626.00		NIST
I	1610.00		NIST
I	1620.00		NIST
I	1620.00		NIST
I	1618.00		NIST
I	1606.00		NIST
I	1615.00		NIST
I	1651.00		NIST
I	1632.00		NIST
I	1661.00		NIST
I	1661.00		NIST
I	1661.00		NIST
I	Outlier 1583.00		NIST
I	1626.00		NIST
I	1632.00		NIST
I	1607.00		NIST
I	1661.00		NIST
I	1616.00		NIST
I	1637.00		NIST
I	1606.00		NIST
I	1661.00		NIST
Tboil	477.08	K	Relay (1.0) Calculated Property
Tc	719.89	K	Relay (1.0) Calculated Property
Tfus	273.33	K	Relay (1.0) Calculated Property
Vc	0.328	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 1H-Pyrrole-2-carboxaldehyde, 1-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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.