- InChI
- InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
- InChI Key
- WJFKNYWRSNBZNX-UHFFFAOYSA-N
- Formula
- C12H9NS
- SMILES
- c1ccc2c(c1)Nc1ccccc1S2
- Molecular Weight1
- 199.27
- CAS
- 92-84-2
- Other Names
-
- 10H-Phenothiazin
- 10H-Phenothiazine
- AFI-Tiazin
- Agrazine
- Antiverm
- Biverm
- Contaverm
- Danikoropa
- Dibenzo-1,4-thiazine
- Dibenzo-p-thiazine
- Dibenzoparathiazine
- Dibenzothiazine
- ENT 38
- EPA Pesticide Chemical Code 064501
- Early bird wormer
- Feeno
- Fenothiazine
- Fenotiazina
- Fenoverm
- Fentiazin
- Helmetina
- Lethelmin
- Nemazene
- Nemazine
- Nexarbol
- Orimon
- Padophene
- Penthazine
- Phenegic
- Phenosan
- Phenoverm
- Phenovis
- Phenoxur
- Phenthiazine
- Phenzeen
- Reconox
- Souframine
- Thiodifenylamine
- Thiodiphenylamin
- Thiodiphenylamine
- Tiodifenilamina
- Vermitin
- Wurm-Thional
- XL-50
- ω : Acentric Factor.
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.4434 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-6777.00; -6660.09] | kJ/mol |
|
| ΔcH°solid | -6777.00 ± 1.60 | kJ/mol | NIST |
| ΔcH°solid | -6660.09 | kJ/mol | NIST |
| ΔfG° | 463.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 278.20 ± 1.90 | kJ/mol | NIST |
| ΔfH°solid | [49.71; 166.70] | kJ/mol |
|
| ΔfH°solid | 166.70 ± 1.90 | kJ/mol | NIST |
| ΔfH°solid | 49.71 | kJ/mol | NIST |
| ΔfusH° | 26.55 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [111.45; 114.50] | kJ/mol |
|
| ΔsubH° | 111.45 ± 0.37 | kJ/mol | NIST |
| ΔsubH° | 114.50 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 88.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [6.74; 7.70] | eV |
|
| IE | 6.74 ± 0.07 | eV | NIST |
| IE | 6.87 | eV | NIST |
| IE | 7.62 | eV | NIST |
| IE | 7.70 | eV | NIST |
| IE | 6.96 ± 0.19 | eV | NIST |
| IE | 7.26 ± 0.08 | eV | NIST |
| log10WS | -5.26 | Aq. Solubility Prediction | |
| logPoct/wat | 3.895 | Crippen Calculated Property | |
| McVol | 147.890 | ml/mol | McGowan Calculated Property |
| Pc | 4000.70 | kPa | Joback Calculated Property |
| Inp | [2010.00; 2030.00] |
|
|
| Inp | 2010.00 | NIST | |
| Inp | 2010.00 | NIST | |
| Inp | 2010.00 | NIST | |
| Inp | 2030.00 | NIST | |
| Inp | 2010.00 | NIST | |
| Inp | 2024.00 | NIST | |
| Inp | 2010.00 | NIST | |
| Tboil | 644.20 | K | NIST |
| Tc | 929.61 | K | Relay (1.0) Calculated Property |
| Tfus | [456.00; 458.90] | K |
|
| Tfus | 458.90 | K | Aq. Solubility Prediction |
| Tfus | 458.85 | K | Structural, energetic and reactivity properties of phenoxazine and phenothiazine |
| Tfus | 457.90 | K | Abraham model correlations for describing the thermodynamic properties of solute transfer into pentyl acetate based on headspace chromatographic and solubility measurements |
| Tfus | Outlier 456.00 | K | Solubility of Phenothiazine in Water, Ethanol, and Propylene Glycol at (298.2 to 338.2) K and Their Binary and Ternary Mixtures at 298.2 K |
| Tfus | 458.39 ± 0.20 | K | NIST |
| Tfus | 457.50 ± 0.20 | K | NIST |
| Tfus | 458.50 ± 0.20 | K | NIST |
| Tfus | 457.55 ± 0.40 | K | NIST |
| Vc | 0.524 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [342.65; 409.13] | J/mol×K | [640.80; 918.16] |
|
| Cp,gas | 342.65 | J/mol×K | 640.80 | Joback Calculated Property |
| Cp,gas | 356.29 | J/mol×K | 687.03 | Joback Calculated Property |
| Cp,gas | 368.70 | J/mol×K | 733.25 | Joback Calculated Property |
| Cp,gas | 380.03 | J/mol×K | 779.48 | Joback Calculated Property |
| Cp,gas | 390.44 | J/mol×K | 825.71 | Joback Calculated Property |
| Cp,gas | 400.08 | J/mol×K | 871.93 | Joback Calculated Property |
| Cp,gas | 409.13 | J/mol×K | 918.16 | Joback Calculated Property |
| ΔfusH | [25.66; 28.40] | kJ/mol | [457.20; 458.40] |
|
| ΔfusH | 28.40 | kJ/mol | 457.20 | NIST |
| ΔfusH | 26.92 | kJ/mol | 458.20 | NIST |
| ΔfusH | 26.92 | kJ/mol | 458.20 | NIST |
| ΔfusH | 25.66 | kJ/mol | 458.40 | NIST |
| ΔfusH | 25.70 | kJ/mol | 458.40 | NIST |
| ΔsubH | 86.00 | kJ/mol | 365.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [507.27; 673.22] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.06683e+01 | |||
| Coefficient B | -1.03386e+04 | |||
| Temperature range, min. | 507.27 | |||
| Temperature range, max. | 673.22 | |||
| Pvap | 1.33 | kPa | 507.27 | Calculated Property |
| Pvap | 2.72 | kPa | 525.71 | Calculated Property |
| Pvap | 5.31 | kPa | 544.15 | Calculated Property |
| Pvap | 9.89 | kPa | 562.59 | Calculated Property |
| Pvap | 17.72 | kPa | 581.03 | Calculated Property |
| Pvap | 30.63 | kPa | 599.46 | Calculated Property |
| Pvap | 51.24 | kPa | 617.90 | Calculated Property |
| Pvap | 83.21 | kPa | 636.34 | Calculated Property |
| Pvap | 131.49 | kPa | 654.78 | Calculated Property |
| Pvap | 202.63 | kPa | 673.22 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenothiazine.
Mixtures
- Acetic acid, pentyl ester + Phenothiazine
- Ethanol + Phenothiazine
- Propylene Glycol + Phenothiazine
- Phenothiazine + Water
- Propylene Glycol + Ethanol + Phenothiazine
- Ethanol + Phenothiazine + Water
- Propylene Glycol + Phenothiazine + Water
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Structural, energetic and reactivity properties of phenoxazine and phenothiazine
- Abraham model correlations for describing the thermodynamic properties of solute transfer into pentyl acetate based on headspace chromatographic and solubility measurements
- Solubility of Phenothiazine in Water, Ethanol, and Propylene Glycol at (298.2 to 338.2) K and Their Binary and Ternary Mixtures at 298.2 K
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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