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 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 : 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
ΔvapH°	86.30	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	4830.03	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
I	2557.00		NIST
Tboil	599.67	K	Relay (1.0) Calculated Property
Tc	906.22	K	Relay (1.0) Calculated Property
Tfus	[444.00; 451.00]	K
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	0.532	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

• 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
• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.