Chemical Properties of 1H-Pyrrole-2-carboxaldehyde, 1-ethyl- (CAS 2167-14-8)

InChI

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

InChI Key

DVLGEHCERRWDIX-UHFFFAOYSA-N

Formula

C7H9NO

SMILES

CCn1cccc1C=O

Molecular Weight¹

123.15

CAS

2167-14-8

Other Names

• 1-Ethyl-1H-pyrrole-2-carboxaldehyde
• 1-Ethyl-1H-pyrrole-2-carboxyaldehyde
• 1-Ethyl-2-formyl-1H-pyrrole
• 1-Ethyl-2-formylpyrrole
• 1-Ethyl-2-pyrrolecarbaldehyde

• 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	0.4452		Relay (1.0) Calculated Property
ΔfG°	73.79	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-82.18	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	59.07	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-1.16		Relay (1.0) Calculated Property
logPoct/wat	1.321		Crippen Calculated Property
McVol	101.580	ml/mol	McGowan Calculated Property
Pc	4051.71	kPa	Relay (1.0-beta) Calculated Property
Inp	[1039.00; 1067.00]
Inp	1067.00		NIST
Inp	1039.00		NIST
Inp	1046.00		NIST
Inp	1067.00		NIST
I	[1562.00; 1616.00]
I	1610.00		NIST
I	1610.00		NIST
I	1610.00		NIST
I	1610.00		NIST
I	1566.00		NIST
I	1562.00		NIST
I	1616.00		NIST
I	1616.00		NIST
Tboil	480.41	K	Relay (1.0) Calculated Property
Tc	714.54	K	Relay (1.0) Calculated Property
Tfus	265.50	K	Relay (1.0) Calculated Property
Vc	0.378	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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

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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