Chemical Properties of 1H-Pyrrole, 2-ethyl-4-methyl- (CAS 69687-77-0)

InChI

InChI=1S/C7H11N/c1-3-7-4-6(2)5-8-7/h4-5,8H,3H2,1-2H3

InChI Key

GALBJULHRGPJEG-UHFFFAOYSA-N

Formula

C7H11N

SMILES

CCc1cc(C)c[nH]1

Molecular Weight¹

109.17

CAS

69687-77-0

Other Names

• 2-ethyl-4-methyl-1H-pyrrole

• 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	0.3895		Relay (1.0) Calculated Property
ΔfG°	134.09	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-8.32	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	57.25	kJ/mol	Relay (1.0) Calculated Property
IE	7.85	eV	Relay (1.0) Calculated Property
log10WS	-1.30		Relay (1.0) Calculated Property
logPoct/wat	1.404		Crippen Calculated Property
McVol	100.010	ml/mol	McGowan Calculated Property
Pc	3725.90	kPa	Relay (1.0-beta) Calculated Property
Inp	[938.00; 984.00]
Inp	984.00		NIST
Inp	938.00		NIST
Inp	984.00		NIST
I	1711.00		NIST
Tboil	452.69	K	Relay (1.0) Calculated Property
Tc	653.58	K	Relay (1.0) Calculated Property
Tfus	252.67	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-ethyl-4-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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