Chemical Properties of 1H-Imidazole, 1-propyl- (CAS 35203-44-2)

InChI

InChI=1S/C6H10N2/c1-2-4-8-5-3-7-6-8/h3,5-6H,2,4H2,1H3

InChI Key

IYVYLVCVXXCYRI-UHFFFAOYSA-N

Formula

C6H10N2

SMILES

CCCn1ccnc1

Molecular Weight¹

110.16

CAS

35203-44-2

Other Names

• 1-propyl-1H-imidazole
• 1-propylimidazole
• N-propylimidazole

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	61.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
logPoct/wat	1.293		Crippen Calculated Property
McVol	95.900	ml/mol	McGowan Calculated Property
Inp	[1068.00; 1068.00]
Inp	1068.00		NIST
Inp	1068.00		NIST
I	[1768.00; 1768.00]
I	1768.00		NIST
I	1768.00		NIST
Tboil	497.78	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[2.59e-03; 0.29]	kPa	[279.10; 341.00]
Pvap	2.59e-03	kPa	279.10	Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
Pvap	3.83e-03	kPa	283.40	Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
Pvap	5.89e-03	kPa	288.30	Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
Pvap	7.00e-03	kPa	290.40	Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
Pvap	8.81e-03	kPa	293.30	Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
Pvap	0.01	kPa	296.30	Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
Pvap	0.01	kPa	298.50	Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
Pvap	0.02	kPa	301.60	Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
Pvap	0.02	kPa	304.10	Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
Pvap	0.02	kPa	305.50	Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
Pvap	0.03	kPa	307.50	Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
Pvap	0.04	kPa	312.60	Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
Pvap	0.04	kPa	313.40	Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
Pvap	0.06	kPa	316.60	Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
Pvap	0.07	kPa	319.70	Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
Pvap	0.09	kPa	323.20	Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
Pvap	0.10	kPa	325.20	Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
Pvap	0.13	kPa	328.50	Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
Pvap	0.16	kPa	332.30	Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
Pvap	0.17	kPa	333.50	Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
Pvap	0.22	kPa	337.00	Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
Pvap	0.26	kPa	339.50	Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
Pvap	0.29	kPa	341.00	Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles

Similar Compounds

Find more compounds similar to 1H-Imidazole, 1-propyl-.

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: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles
• McGowan Method
• NIST Webbook

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