Chemical Properties of 1H-Imidazole, 1-butyl-2-methyl

InChI

InChI=1S/C8H14N2/c1-3-4-6-10-7-5-9-8(10)2/h5,7H,3-4,6H2,1-2H3

InChI Key

WHLZPGRDRYCVRQ-UHFFFAOYSA-N

Formula

C8H14N2

SMILES

CCCCn1ccnc1C

Molecular Weight¹

138.21

Other Names

• 1-butyl-2-methyl-1H-imidazole
• 1-butyl-2-methylimidazole

• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	8.43	eV	Relay (1.0) Calculated Property
logPoct/wat	1.992		Crippen Calculated Property
McVol	124.080	ml/mol	McGowan Calculated Property
Inp	[1226.00; 1226.00]
Inp	1226.00		NIST
Inp	1226.00		NIST
I	[1876.00; 1876.00]
I	1876.00		NIST
I	1876.00		NIST
Tboil	519.62	K	Relay (1.0) Calculated Property
Tfus	253.35	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Pvap	[2.35e-03; 0.11]	kPa	[293.60; 343.00]
Pvap	2.35e-03	kPa	293.60	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	2.92e-03	kPa	296.20	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	3.44e-03	kPa	298.20	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	4.30e-03	kPa	300.10	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	5.47e-03	kPa	303.10	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	6.51e-03	kPa	305.10	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	7.72e-03	kPa	307.20	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	0.01	kPa	310.20	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	0.01	kPa	311.10	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	0.01	kPa	313.20	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	0.01	kPa	313.20	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	0.01	kPa	314.10	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	0.02	kPa	316.10	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	0.02	kPa	317.10	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	0.02	kPa	319.10	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	0.03	kPa	322.10	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	0.03	kPa	325.10	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	0.04	kPa	328.10	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	0.05	kPa	330.10	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	0.05	kPa	331.10	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	0.06	kPa	334.00	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	0.08	kPa	337.00	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	0.08	kPa	337.00	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	0.09	kPa	340.00	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	0.11	kPa	342.00	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
Pvap	0.11	kPa	343.00	Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles

Similar Compounds

Find more compounds similar to 1H-Imidazole, 1-butyl-2-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
• Building Blocks for Ionic Liquids: A Study of Alkyl Chain Length Dependence of Vaporization Enthalpies of 1-(n-Alkyl)-2-methylimidazoles
• McGowan Method
• NIST Webbook

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