Chemical Properties of 2-formyl-5-methyl-N-isobutenylpyrrole

InChI

InChI=1S/C10H13NO/c1-8(2)6-11-9(3)4-5-10(11)7-12/h4-7H,1-3H3

InChI Key

GBCABZWFUUFNJM-UHFFFAOYSA-N

Formula

C10H13NO

SMILES

CC(C)=Cn1c(C)ccc1C=O

Molecular Weight¹

163.22

• 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	0.4922		Relay (1.0) Calculated Property
ΔfG°	113.70	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-59.12	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	64.87	kJ/mol	Relay (1.0) Calculated Property
IE	7.85	eV	Relay (1.0) Calculated Property
log10WS	-2.37		Relay (1.0) Calculated Property
logPoct/wat	2.490		Crippen Calculated Property
McVol	139.550	ml/mol	McGowan Calculated Property
Pc	3076.73	kPa	Relay (1.0-beta) Calculated Property
I	[1815.00; 1815.00]
I	1815.00		NIST
I	1815.00		NIST
Tboil	527.54	K	Relay (1.0) Calculated Property
Tc	757.90	K	Relay (1.0) Calculated Property
Tfus	318.70	K	Relay (1.0) Calculated Property
Vc	0.509	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-formyl-5-methyl-N-isobutenylpyrrole.

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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