Chemical Properties of Carbazole (CAS 86-74-8)

InChI

InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H

InChI Key

UJOBWOGCFQCDNV-UHFFFAOYSA-N

Formula

C12H9N

SMILES

c1ccc2c(c1)[nH]c1ccccc12

Molecular Weight¹

167.21

CAS

86-74-8

Other Names

• 9-Azafluorene
• 9H-Carbazole
• DIPHENYLENIMINE
• Dibenzo[b,d]pyrrole
• Dibenzopyrrole
• Diphenyleneimine
• Diphenylenimide
• NSC 3498
• SKF 20091
• USAF EK-600

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4716		Relay (1.0) Calculated Property
ΔcH°solid	[-6133.50; -6110.10]	kJ/mol
ΔcH°solid	-6110.10 ± 2.30	kJ/mol	NIST
ΔcH°solid	-6120.10 ± 3.40	kJ/mol	NIST
ΔcH°solid	-6116.20	kJ/mol	NIST
ΔcH°solid	-6133.50 ± 3.60	kJ/mol	NIST
ΔfG°	301.60	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	[205.00; 222.90]	kJ/mol
ΔfH°gas	205.00 ± 3.00	kJ/mol	NIST
ΔfH°gas	209.60 ± 3.50	kJ/mol	NIST
ΔfH°gas	222.90	kJ/mol	NIST
ΔfH°solid	[101.70; 125.10]	kJ/mol
ΔfH°solid	101.70 ± 2.80	kJ/mol	NIST
ΔfH°solid	111.80 ± 3.50	kJ/mol	NIST
ΔfH°solid	125.10 ± 3.60	kJ/mol	NIST
ΔsubH°	[97.70; 109.00]	kJ/mol
ΔsubH°	103.30 ± 1.10	kJ/mol	NIST
ΔsubH°	103.30	kJ/mol	NIST
ΔsubH°	103.30 ± 1.10	kJ/mol	NIST
ΔsubH°	97.70 ± 0.30	kJ/mol	NIST
ΔsubH°	97.70 ± 0.30	kJ/mol	NIST
ΔsubH°	97.80	kJ/mol	NIST
ΔsubH°	109.00	kJ/mol	NIST
ΔvapH°	82.46	kJ/mol	Relay (1.0) Calculated Property
IE	[7.20; 7.68]	eV
IE	7.57 ± 0.03	eV	NIST
IE	7.60 ± 0.10	eV	NIST
IE	7.20 ± 0.10	eV	NIST
IE	7.50	eV	NIST
IE	7.68	eV	NIST
log10WS	[-5.27; -4.97]
log10WS	-4.97		Aq. Solubility Prediction
log10WS	-5.27		Estimated Solubility
logPoct/wat	2.839		Crippen Calculated Property
McVol	131.540	ml/mol	McGowan Calculated Property
Pc	3930.00	kPa	KDB
Inp	[307.90; 1852.00]
Inp	1781.00		NIST
Inp	1761.10		NIST
Inp	1784.00		NIST
Inp	1801.10		NIST
Inp	1820.50		NIST
Inp	1810.00		NIST
Inp	1851.00		NIST
Inp	1806.00		NIST
Inp	1836.00		NIST
Inp	1766.00		NIST
Inp	1838.00		NIST
Inp	1823.00		NIST
Inp	1789.00		NIST
Inp	1841.00		NIST
Inp	1790.00		NIST
Inp	1768.00		NIST
Inp	1849.00		NIST
Inp	1852.00		NIST
Inp	1784.00		NIST
Inp	308.63		NIST
Inp	309.24		NIST
Inp	310.15		NIST
Inp	309.63		NIST
Inp	310.35		NIST
Inp	309.22		NIST
Inp	311.71		NIST
Inp	312.13		NIST
Inp	309.80		NIST
Inp	309.80		NIST
Inp	310.35		NIST
Inp	311.71		NIST
Inp	307.90		NIST
Inp	312.13		NIST
Inp	309.02		NIST
Inp	311.00		NIST
Inp	314.30		NIST
Inp	1801.10		NIST
Inp	1836.00		NIST
Inp	1823.00		NIST
Inp	1784.00		NIST
Tboil	[627.85; 628.20]	K
Tboil	627.85	K	KDB
Tboil	628.20	K	NIST
Tc	901.80	K	KDB
Tfus	[517.04; 519.30]	K
Tfus	519.30	K	KDB
Tfus	518.58	K	Aq. Solubility Prediction
Tfus	517.04	K	Ternary phase diagram of phenanthrene and carbazole in different solvents and its application in the separation of them
Vc	0.502	m3/kmol	KDB
Zc	0.2631170		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[190.80; 194.00]	J/mol×K	[298.15; 298.15]
Cp,solid	194.00	J/mol×K	298.15	NIST
Cp,solid	190.80	J/mol×K	298.15	NIST
ΔfusH	[26.90; 27.20]	kJ/mol	[516.00; 521.10]
ΔfusH	27.20	kJ/mol	516.00	NIST
ΔfusH	27.08	kJ/mol	518.33	NIST
ΔfusH	26.90	kJ/mol	518.70	NIST
ΔfusH	27.20	kJ/mol	521.00	NIST
ΔfusH	27.20	kJ/mol	521.10	NIST
ΔsubH	101.20 ± 1.10	kJ/mol	355.00	NIST
ΔvapH	[60.80; 66.00]	kJ/mol	[525.00; 605.00]
ΔvapH	63.30	kJ/mol	525.00	NIST
ΔvapH	61.80	kJ/mol	565.00	NIST
ΔvapH	66.00	kJ/mol	570.50	NIST
ΔvapH	65.70	kJ/mol	578.00	NIST
ΔvapH	60.80	kJ/mol	605.00	NIST
ΔfusS	52.19	J/mol×K	521.10	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[466.59; 667.27]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.51554e+01
Coefficient B			-5.84618e+03
Coefficient C			-7.33790e+01
Temperature range, min.			466.59
Temperature range, max.			667.27
Pvap	1.33	kPa	466.59	Calculated Property
Pvap	2.96	kPa	488.89	Calculated Property
Pvap	6.06	kPa	511.19	Calculated Property
Pvap	11.58	kPa	533.48	Calculated Property
Pvap	20.83	kPa	555.78	Calculated Property
Pvap	35.58	kPa	578.08	Calculated Property
Pvap	58.09	kPa	600.38	Calculated Property
Pvap	91.13	kPa	622.67	Calculated Property
Pvap	138.04	kPa	644.97	Calculated Property
Pvap	202.66	kPa	667.27	Calculated Property

Similar Compounds

Find more compounds similar to Carbazole.

Mixtures

• Dibenzofuran + Carbazole
• Acenaphthene + Carbazole
• Fluorene + Carbazole
• Phenanthrene + Formamide, N,N-dimethyl- + Carbazole
• Phenanthrene + Acetone + Carbazole
• Phenanthrene + Acetonitrile + Carbazole
• Phenanthrene + Toluene + Carbazole
• Formamide, N,N-dimethyl- + Carbazole
• Acetone + Carbazole
• Acetonitrile + Carbazole
• Toluene + Carbazole
• Phenanthrene + Carbazole
• 9H-Fluoren-9-one + Carbazole
• Propane + Carbazole
• Carbazole + Isobutane

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
• Solid-liquid phase equilibrium of 9-fluorenone and several polynuclear aromatic hydrocarbons
• Solid-liquid equilibrium of some polycyclic aromatic hydrocarbons in wash oil
• Ternary phase diagram of phenanthrene and carbazole in different solvents and its application in the separation of them
• Measurement and Modeling of the Solubility of 9H-Carbazole in Sub- and Supercritical Propane
• Measurement and Modeling of the Solubility of Anthracene and Carbazole in Compressed Isobutane
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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