Chemical Properties of 1H-Imidazole (CAS 288-32-4)

InChI

InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)

InChI Key

RAXXELZNTBOGNW-UHFFFAOYSA-N

Formula

C3H4N2

SMILES

c1c[nH]cn1

Molecular Weight¹

68.08

CAS

288-32-4

Other Names

• 1,3-diaza-2,4-cyclopentadiene
• 1,3-diazole
• Formamidine, N,N'-vinylene-
• IMD
• Imidazol
• Iminazole
• Imutex
• Miazole
• NSC 60522
• Pyrro(b)monazole
• USAF EK-4733
• glyoxalin
• glyoxaline
• imidazole
• methanimidamide, N,N'-1,2-ethenediyl-

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	942.80	kJ/mol	NIST
BasG	909.20	kJ/mol	NIST
ΔfH°gas	[128.00; 139.30]	kJ/mol
ΔfH°gas	129.50	kJ/mol	NIST
ΔfH°gas	139.30 ± 1.90	kJ/mol	NIST
ΔfH°gas	132.90 ± 0.60	kJ/mol	NIST
ΔfH°gas	128.00 ± 7.50	kJ/mol	NIST
ΔfusH°	13.10	kJ/mol	Thermodynamic study of phase transitions of imidazoles and 1-methylimidazoles
ΔsubH°	[66.90; 85.40]	kJ/mol
ΔsubH°	83.10 ± 0.20	kJ/mol	NIST
ΔsubH°	83.10	kJ/mol	NIST
ΔsubH°	83.10 ± 0.20	kJ/mol	NIST
ΔsubH°	74.50 ± 0.40	kJ/mol	NIST
ΔsubH°	66.90 ± 4.20	kJ/mol	NIST
ΔsubH°	69.50	kJ/mol	NIST
ΔsubH°	85.30	kJ/mol	NIST
ΔsubH°	85.40	kJ/mol	NIST
IE	[8.78; 9.12]	eV
IE	8.81 ± 0.01	eV	NIST
IE	8.81 ± 0.01	eV	NIST
IE	9.12	eV	NIST
IE	8.96	eV	NIST
IE	8.78	eV	NIST
logPoct/wat	-0.072		Crippen Calculated Property
McVol	53.630	ml/mol	McGowan Calculated Property
Inp	[1042.00; 1095.00]
Inp	1069.00		NIST
Inp	1042.00		NIST
Inp	1069.00		NIST
Inp	1095.00		NIST
Inp	1055.00		NIST
Inp	1095.00		NIST
Inp	1055.00		NIST
Inp	1095.00		NIST
I	[2172.00; 2200.00]
I	2172.00		NIST
I	2200.00		NIST
I	2200.00		NIST
Tboil	530.20	K	NIST
Tfus	[361.90; 363.70]	K
Tfus	362.25	K	Solubility of Imidazoles in Ethers
Tfus	363.70 ± 0.40	K	NIST
Tfus	361.90 ± 0.20	K	NIST
Ttriple	362.69 ± 0.02	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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
Cp,solid	[0.77; 84.90]	J/mol×K	[10.18; 302.82]
Cp,solid	0.77	J/mol×K	10.18	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	0.90	J/mol×K	10.66	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	1.03	J/mol×K	11.15	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	1.17	J/mol×K	11.64	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	1.34	J/mol×K	12.15	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	1.52	J/mol×K	12.69	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	1.73	J/mol×K	13.25	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	1.96	J/mol×K	13.83	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	2.23	J/mol×K	14.45	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	2.52	J/mol×K	15.09	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	2.76	J/mol×K	15.59	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	3.50	J/mol×K	17.03	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	4.40	J/mol×K	18.62	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	5.44	J/mol×K	20.32	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	6.72	J/mol×K	22.25	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	8.16	J/mol×K	24.32	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	9.80	J/mol×K	26.56	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	11.60	J/mol×K	29.04	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	13.60	J/mol×K	31.74	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	15.78	J/mol×K	34.70	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	18.12	J/mol×K	37.93	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	20.50	J/mol×K	41.46	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	22.98	J/mol×K	45.33	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	25.37	J/mol×K	49.55	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	27.86	J/mol×K	54.15	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	30.35	J/mol×K	59.19	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	32.58	J/mol×K	64.68	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	34.67	J/mol×K	70.69	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	36.89	J/mol×K	77.27	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	39.12	J/mol×K	84.43	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	41.04	J/mol×K	92.28	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	42.43	J/mol×K	100.87	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	44.28	J/mol×K	110.96	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	46.09	J/mol×K	121.01	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	47.65	J/mol×K	131.13	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	49.12	J/mol×K	141.20	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	50.76	J/mol×K	151.26	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	52.37	J/mol×K	161.40	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	54.19	J/mol×K	171.53	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	56.27	J/mol×K	181.59	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	58.38	J/mol×K	191.67	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	60.47	J/mol×K	201.76	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	62.61	J/mol×K	211.85	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	65.02	J/mol×K	221.93	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	67.60	J/mol×K	232.01	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	70.27	J/mol×K	242.09	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	73.06	J/mol×K	252.18	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	75.44	J/mol×K	262.27	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	78.25	J/mol×K	272.36	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	80.30	J/mol×K	282.40	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	81.87	J/mol×K	292.36	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
Cp,solid	84.90	J/mol×K	302.82	Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
ΔfusH	[12.50; 12.82]	kJ/mol	[361.90; 363.70]
ΔfusH	12.80	kJ/mol	361.90	NIST
ΔfusH	12.80	kJ/mol	361.90	NIST
ΔfusH	12.80	kJ/mol	361.90	NIST
ΔfusH	12.82	kJ/mol	362.69	NIST
ΔfusH	12.50	kJ/mol	363.70	NIST
ΔsubH	[80.80; 83.10]	kJ/mol	[299.00; 300.50]
ΔsubH	80.80	kJ/mol	299.00	NIST
ΔsubH	83.10 ± 0.20	kJ/mol	300.50	NIST
ΔfusS	[35.35; 35.37]	J/mol×K	[361.90; 362.69]
ΔfusS	35.37	J/mol×K	361.90	NIST
ΔfusS	35.35	J/mol×K	362.69	NIST

Similar Compounds

Find more compounds similar to 1H-Imidazole.

Mixtures

• Tetra-N-butylammonium bromide + 1H-Imidazole
• Glucose + Tetra-N-butylammonium bromide + 1H-Imidazole
• Butane, 1-chloro- + 1H-Imidazole
• Methylene chloride + 1H-Imidazole
• Toluene + 1H-Imidazole
• Benzene, 1-methyl-2-nitro- + 1H-Imidazole
• Choline chloride + 1H-Imidazole
• Choline chloride + Nitric oxide + 1H-Imidazole
• Di-n-propyl ether + 1H-Imidazole
• n-Butyl ether + 1H-Imidazole
• n-Amyl ether + 1H-Imidazole
• 1H-Imidazole + Propane, 2-methoxy-2-methyl-
• Butane, 2-methoxy-2-methyl- + 1H-Imidazole
• 1H-Imidazole + Acetic acid
• Glucose + 1H-Imidazole + Acetic acid
• Fructose + 1H-Imidazole + Acetic acid
• 1H-Imidazole + Water
• Carbon dioxide + 1H-Imidazole + Water

Sources

• 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
• Solubility of glucose in tetrabutylammonium bromide based deep eutectic solvents: Experimental and molecular dynamic simulations
• Thermodynamic study of phase transitions of imidazoles and 1-methylimidazoles
• Heat capacities and thermodynamic functions of the ZIF organic linkers imidazole, 2-methylimidazole, and 2-ethylimidazole
• Thermochemistry of triimidazolium nonaborate
• Thermophysical Properties and Solubility of Different Sugar-Derived Molecules in Deep Eutectic Solvents
• Solubilities and Thermodynamic Properties of CO2 in Four Azole-Based Deep Eutectic Solvents
• Viscosity, Density, and Volatility of Binary Mixtures of Imidazole, 2-Methylimidazole, 2,4,5-Trimethylimidazole, and 1,2,4,5-Tetramethylimidazole with Water
• Efficient and Reversible Nitric Oxide Absorption by Low-Viscosity, Azole-Derived Deep Eutectic Solvents
• Solubility of Imidazoles in Ethers
• Solubility of Imidazoles, Benzimidazoles, and Phenylimidazoles in Dichloromethane, 1-Chlorobutane, Toluene, and 2-Nitrotoluene
• McGowan Method
• NIST Webbook

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