- 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
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Psub : Sublimation pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -6006.30 ± 2.70 | kJ/mol | NIST |
| ΔfG° | 337.87 | kJ/mol | Joback Calculated Property |
| 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° | 59.50 | kJ/mol | Joback Calculated Property |
| log10WS | -3.16 | Crippen Calculated Property | |
| logPoct/wat | 3.536 | Crippen Calculated Property | |
| McVol | 137.410 | ml/mol | McGowan Calculated Property |
| Pc | 3985.56 | kPa | Joback Calculated Property |
| Tboil | 619.92 | K | Joback Calculated Property |
| Tc | 881.44 | K | Joback Calculated Property |
| Tfus | [429.85; 430.73] | K |
|
| Tfus | 430.73 | K | Structu... |
| Tfus | 429.85 ± 0.50 | K | NIST |
| Vc | 0.515 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [329.11; 395.48] | J/mol×K | [619.92; 881.44] |
|
| Cp,gas | 329.11 | J/mol×K | 619.92 | Joback Calculated Property |
| Cp,gas | 342.71 | J/mol×K | 663.51 | Joback Calculated Property |
| Cp,gas | 355.12 | J/mol×K | 707.09 | Joback Calculated Property |
| Cp,gas | 366.49 | J/mol×K | 750.68 | Joback Calculated Property |
| Cp,gas | 376.92 | J/mol×K | 794.27 | Joback Calculated Property |
| Cp,gas | 386.54 | J/mol×K | 837.85 | Joback Calculated Property |
| Cp,gas | 395.48 | J/mol×K | 881.44 | Joback Calculated Property |
| Psub | [2.81e-05; 1.07e-03] | kPa | [329.70; 364.50] |
|
| Psub | 2.81e-05 | kPa | 329.70 | Vapor p... |
| Psub | 5.94e-05 | kPa | 336.70 | Vapor p... |
| Psub | 1.02e-04 | kPa | 340.90 | Vapor p... |
| Psub | 1.02e-04 | kPa | 340.90 | Vapor p... |
| Psub | 1.64e-04 | kPa | 344.90 | Vapor p... |
| Psub | 1.64e-04 | kPa | 345.10 | Vapor p... |
| Psub | 1.96e-04 | kPa | 346.90 | Vapor p... |
| Psub | 2.20e-04 | kPa | 348.20 | Vapor p... |
| Psub | 3.45e-04 | kPa | 352.90 | Vapor p... |
| Psub | 3.63e-04 | kPa | 353.10 | Vapor p... |
| Psub | 4.83e-04 | kPa | 356.70 | Vapor p... |
| Psub | 7.48e-04 | kPa | 360.90 | Vapor p... |
| Psub | 1.07e-03 | kPa | 364.50 | Vapor p... |
Similar Compounds
Find more compounds similar to Phenoxazine.
Sources
- 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
- Joback Method
- McGowan Method
- NIST Webbook
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