Chemical Properties of Phenazine (CAS 92-82-0)

InChI

InChI=1S/C12H8N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H

InChI Key

PCNDJXKNXGMECE-UHFFFAOYSA-N

Formula

C12H8N2

SMILES

c1ccc2nc3ccccc3nc2c1

Molecular Weight¹

180.21

CAS

92-82-0

Other Names

• 9,10-diazaanthracene
• Azophenylene
• Dibenzo-p-diazine
• Dibenzoparadiazine
• dibenzopyrazine

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• 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 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4769		Relay (1.0) Calculated Property
PAff	938.40	kJ/mol	NIST
BasG	908.30	kJ/mol	NIST
ΔcH°solid	[-6112.80; -6102.40]	kJ/mol
ΔcH°solid	-6106.70 ± 3.30	kJ/mol	NIST
ΔcH°solid	-6102.40 ± 1.20	kJ/mol	NIST
ΔcH°solid	-6109.10 ± 1.70	kJ/mol	NIST
ΔcH°solid	-6112.80 ± 6.30	kJ/mol	NIST
EA	1.31 ± 0.10	eV	NIST
ΔfG°	318.10	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	[328.80; 343.60]	kJ/mol
ΔfH°gas	338.30 ± 3.40	kJ/mol	NIST
ΔfH°gas	328.80 ± 2.90	kJ/mol	NIST
ΔfH°gas	343.60 ± 2.80	kJ/mol	NIST
ΔfH°solid	[237.00; 243.70]	kJ/mol
ΔfH°solid	241.30 ± 3.40	kJ/mol	NIST
ΔfH°solid	237.00 ± 2.00	kJ/mol	NIST
ΔfH°solid	243.70 ± 2.30	kJ/mol	NIST
ΔfusH°	24.92	kJ/mol	Thermodynamic properties of three-ring aza-aromatics. 1. Experimental results for phenazine and acridine, and mutual validation of experiments and computational methods
ΔsubH°	[90.00; 99.90]	kJ/mol
ΔsubH°	95.90 ± 0.40	kJ/mol	NIST
ΔsubH°	96.97 ± 0.36	kJ/mol	NIST
ΔsubH°	97.00	kJ/mol	NIST
ΔsubH°	97.00 ± 0.40	kJ/mol	NIST
ΔsubH°	91.80 ± 2.10	kJ/mol	NIST
ΔsubH°	91.80	kJ/mol	NIST
ΔsubH°	91.80 ± 2.10	kJ/mol	NIST
ΔsubH°	99.90 ± 2.50	kJ/mol	NIST
ΔsubH°	99.90	kJ/mol	NIST
ΔsubH°	90.40 ± 2.50	kJ/mol	NIST
ΔsubH°	90.00 ± 1.50	kJ/mol	NIST
ΔvapH°	85.58	kJ/mol	Relay (1.0) Calculated Property
IE	[8.33; 8.44]	eV
IE	8.33	eV	NIST
IE	8.44 ± 0.02	eV	NIST
IE	8.33 ± 0.02	eV	NIST
log10WS	-3.64		Relay (1.0) Calculated Property
logPoct/wat	2.783		Crippen Calculated Property
McVol	137.220	ml/mol	McGowan Calculated Property
Pc	4817.15	kPa	Relay (1.0-beta) Calculated Property
Inp	[294.37; 1703.00]
Inp	1703.00		NIST
Inp	1670.00		NIST
Inp	1666.00		NIST
Inp	1703.00		NIST
Inp	1703.00		NIST
Inp	Outlier 294.37		NIST
Inp	1670.00		NIST
Ip	[2557.00; 2557.00]
Ip	2557.00		NIST
Ip	2557.00		NIST
Tboil	599.67	K	Relay (1.0) Calculated Property
Tc	906.31	K	Relay (1.0) Calculated Property
Tfus	[444.00; 451.00]	K
Tfus	449.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	444.00 ± 2.00	K	NIST
Tfus	451.00 ± 3.00	K	NIST
Ttriple	446.40	K	Thermodynamic study on six tricyclic nitrogen heterocyclic compounds by thermal analysis and effusion techniques
Vc	0.531	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	234.30	J/mol×K	298.15	NIST
ΔfusH	[18.88; 24.92]	kJ/mol	[447.89; 450.20]
ΔfusH	18.88	kJ/mol	447.89	NIST
ΔfusH	18.88	kJ/mol	447.89	NIST
ΔfusH	24.92	kJ/mol	447.90	NIST
ΔfusH	20.92	kJ/mol	450.20	NIST
ΔfusH	20.92	kJ/mol	450.20	NIST
ΔsubH	[90.00; 96.97]	kJ/mol	[281.20; 354.00]
ΔsubH	90.00 ± 2.00	kJ/mol	281.20	NIST
ΔsubH	90.40 ± 1.70	kJ/mol	287.00	NIST
ΔsubH	96.97	kJ/mol	298.15	NIST
ΔsubH	92.40	kJ/mol	299.00	NIST
ΔsubH	94.30 ± 0.40	kJ/mol	354.00	NIST
ΔsubH	92.70 ± 0.40	kJ/mol	354.00	NIST
ΔvapH	[65.00; 76.70]	kJ/mol	[298.00; 470.00]
ΔvapH	76.70	kJ/mol	298.00	Study of the Anomalous Thermochemical Behavior of 1,2-Diazines by Correlation-Gas Chromatography
ΔvapH	66.10 ± 0.10	kJ/mol	450.00	NIST
ΔvapH	65.50 ± 0.10	kJ/mol	460.00	NIST
ΔvapH	65.00 ± 0.10	kJ/mol	470.00	NIST

Similar Compounds

Find more compounds similar to Phenazine.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Thermodynamic properties of three-ring aza-aromatics. 1. Experimental results for phenazine and acridine, and mutual validation of experiments and computational methods
• New aspects of relationship between the enthalpies of fusion of aromatic compounds at the melting temperature and the enthalpies of solution in benzene at 298.15 K. Part II
• Thermodynamic study on six tricyclic nitrogen heterocyclic compounds by thermal analysis and effusion techniques
• Study of the Anomalous Thermochemical Behavior of 1,2-Diazines by Correlation-Gas Chromatography
• McGowan Method
• NIST Webbook

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