Chemical Properties of Phenoxazine (CAS 135-67-1)

InChI

InChI=1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H

InChI Key

TZMSYXZUNZXBOL-UHFFFAOYSA-N

Formula

C12H9NO

SMILES

c1ccc2c(c1)Nc1ccccc1O2

Molecular Weight¹

183.21

CAS

135-67-1

Other Names

• 10H-Phenoxazine
• 2,3:5,6-Dibenzo-1,4-oxazine
• NSC 72990
• Phenazoxine

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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_sub : Sublimation pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-6006.30 ± 2.70	kJ/mol	NIST
ΔfH°gas	94.00 ± 2.80	kJ/mol	NIST
ΔfH°solid	-2.10 ± 2.80	kJ/mol	NIST
ΔfusH°	30.87	kJ/mol	Joback Calculated Property
ΔsubH°	[96.08; 96.10]	kJ/mol
ΔsubH°	96.08 ± 0.31	kJ/mol	NIST
ΔsubH°	96.10 ± 0.30	kJ/mol	NIST
ΔvapH°	77.51	kJ/mol	Relay (1.0) Calculated Property
IE	7.05	eV	Relay (1.0) Calculated Property
log10WS	-4.38		Relay (1.0) Calculated Property
logPoct/wat	3.536		Crippen Calculated Property
McVol	137.410	ml/mol	McGowan Calculated Property
Tboil	592.35	K	Relay (1.0) Calculated Property
Tfus	[429.85; 430.73]	K
Tfus	430.73	K	Structural, energetic and reactivity properties of phenoxazine and phenothiazine
Tfus	429.85 ± 0.50	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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,gas	[329.18; 395.54]	J/mol×K	[620.12; 881.72]
Cp,gas	329.18	J/mol×K	620.12	Joback Calculated Property
Cp,gas	342.77	J/mol×K	663.72	Joback Calculated Property
Cp,gas	355.19	J/mol×K	707.32	Joback Calculated Property
Cp,gas	366.55	J/mol×K	750.92	Joback Calculated Property
Cp,gas	376.98	J/mol×K	794.52	Joback Calculated Property
Cp,gas	386.60	J/mol×K	838.12	Joback Calculated Property
Cp,gas	395.54	J/mol×K	881.72	Joback Calculated Property
Psub	[2.81e-05; 1.07e-03]	kPa	[329.70; 364.50]
Psub	2.81e-05	kPa	329.70	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	5.94e-05	kPa	336.70	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	1.02e-04	kPa	340.90	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	1.02e-04	kPa	340.90	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	1.64e-04	kPa	344.90	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	1.64e-04	kPa	345.10	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	1.96e-04	kPa	346.90	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	2.20e-04	kPa	348.20	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	3.45e-04	kPa	352.90	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	3.63e-04	kPa	353.10	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	4.83e-04	kPa	356.70	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	7.48e-04	kPa	360.90	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
Psub	1.07e-03	kPa	364.50	Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique

Similar Compounds

Find more compounds similar to Phenoxazine.

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
• Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
• Structural, energetic and reactivity properties of phenoxazine and phenothiazine
• Additive scheme for calculation of solvation enthalpies of heterocyclic aromatic compounds. Sublimation/vaporization enthalpy at 298.15 K
• Joback Method
• McGowan Method
• NIST Webbook

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