Chemical Properties of 1H-Imidazole, 1-ethyl-5-methyl

InChI

InChI=1S/C6H10N2/c1-3-8-5-7-4-6(8)2/h4-5H,3H2,1-2H3

InChI Key

IYEDUTIYEAAFPU-UHFFFAOYSA-N

Formula

C6H10N2

SMILES

CCn1cncc1C

Molecular Weight¹

110.16

• 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	0.3723		Relay (1.0) Calculated Property
ΔfG°	232.24	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	47.62	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	56.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.62	eV	Relay (1.0) Calculated Property
log10WS	3.80e-03		Relay (1.0) Calculated Property
logPoct/wat	1.211		Crippen Calculated Property
McVol	95.900	ml/mol	McGowan Calculated Property
Pc	4063.35	kPa	Relay (1.0-beta) Calculated Property
Inp	1118.00		NIST
I	[1846.00; 1846.00]
I	1846.00		NIST
I	1846.00		NIST
Tboil	502.01	K	Relay (1.0) Calculated Property
Tc	667.05	K	Relay (1.0) Calculated Property
Tfus	266.73	K	Relay (1.0) Calculated Property
Vc	0.362	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1H-Imidazole, 1-ethyl-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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