- InChI
- InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
- InChI Key
- RQVYBGPQFYCBGX-UHFFFAOYSA-N
- Formula
- C9H17N5S
- SMILES
- CCNc1nc(NC(C)C)nc(SC)n1
- Molecular Weight1
- 227.33
- CAS
- 834-12-8
- Other Names
-
- 1,3,5-Triazine-2,4-diamine, N-ethyl-N'-(1-methylethyl)-6-(methylthio)-
- 2-(Ethylamino)-4-(isopropylamino)-6-(methylmercapto)-s-triazine
- 2-(Ethylamino)-4-(isopropylamino)-6-(methylthio)-s-triazine
- 2-(Methylmercapto)-4-(ethylamino)-6-(isopropylamino)-s-triazine
- 2-(Methylmercapto)-4-(isopropylamino)-6-(ethylamino)-s-triazine
- 2-(Methylthio)-4-(ethylamino)-6-(isopropylamino)-s-triazine
- 2-Ethylamino-4-isopropylamino-6-methylthio-1,3,5-triazine
- 2-ethylamino-4-isopropylamino-6-methylthio-s-triazine
- 2-methylthio-4-ethylamino-6-isopropylamino-1,3,5-triazine
- A 1093
- Amephyt
- Ametrex
- Ametrine
- Ametryne
- Cemerin
- Crisatrine
- Doruplant
- Evik
- G 34162
- Gesapax
- Mebatryne
- N-Ethyl-N'-(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine
- N-Ethyl-N'-isopropyl-6-methylthio-1,3,5-triazine-2,4-diamine
- N-ethyl-N'-(1-methylethyl)-6-methylthio-1,3,5-triazine-2,4-diamine
- NSC 163044
- Primatol Z 80
- Trinatox D
- s-Triazine, 2-(ethylamino)-4-(isopropylamino)-6-(methylthio)-
- ΔcH°solid : Standard solid enthalpy of combustion (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 a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -6510.80 ± 4.20 | kJ/mol | NIST |
| ΔfH°gas | 38.50 ± 6.30 | kJ/mol | NIST |
| ΔfH°solid | -63.10 ± 5.00 | kJ/mol | NIST |
| ΔfusH° | 26.00 | kJ/mol | Vapor P... |
| ΔvapH° | [118.00; 125.00] | kJ/mol |
|
| ΔvapH° | 125.00 ± 6.00 | kJ/mol | NIST |
| ΔvapH° | 118.00 ± 4.00 | kJ/mol | NIST |
| log10WS | [-3.04; -3.04] |
|
|
| log10WS | -3.04 | Aq. Sol... | |
| log10WS | -3.04 | Estimat... | |
| logPoct/wat | 1.846 | Crippen Calculated Property | |
| McVol | 180.160 | ml/mol | McGowan Calculated Property |
| Inp | [1860.00; 1916.00] |
|
|
| Inp | 1860.00 | NIST | |
| Inp | 1869.00 | NIST | |
| Inp | 1872.00 | NIST | |
| Inp | 1882.00 | NIST | |
| Inp | 1882.00 | NIST | |
| Inp | 1911.00 | NIST | |
| Inp | 1907.00 | NIST | |
| Inp | 1912.00 | NIST | |
| Inp | 1916.00 | NIST | |
| Inp | 1911.00 | NIST | |
| Inp | 1911.00 | NIST | |
| I | [2837.00; 2859.00] |
|
|
| I | 2837.00 | NIST | |
| I | 2859.00 | NIST | |
| I | 2837.00 | NIST | |
| I | 2837.00 | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 26.00 | kJ/mol | 359.10 | NIST |
| ΔsubH | 100.90 | kJ/mol | 363.00 | NIST |
| ΔvapH | [84.90; 91.00] | kJ/mol | [453.00; 466.00] |
|
| ΔvapH | 84.90 ± 1.30 | kJ/mol | 453.00 | NIST |
| ΔvapH | 91.00 ± 4.00 | kJ/mol | 466.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [482.99; 603.72] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.54113e+01 | |||
| Coefficient B | -1.21346e+04 | |||
| Temperature range, min. | 482.99 | |||
| Temperature range, max. | 603.72 | |||
| Pvap | 1.33 | kPa | 482.99 | Calculated Property |
| Pvap | 2.63 | kPa | 496.40 | Calculated Property |
| Pvap | 5.00 | kPa | 509.82 | Calculated Property |
| Pvap | 9.20 | kPa | 523.23 | Calculated Property |
| Pvap | 16.44 | kPa | 536.65 | Calculated Property |
| Pvap | 28.53 | kPa | 550.06 | Calculated Property |
| Pvap | 48.23 | kPa | 563.48 | Calculated Property |
| Pvap | 79.58 | kPa | 576.89 | Calculated Property |
| Pvap | 128.36 | kPa | 590.31 | Calculated Property |
| Pvap | 202.67 | kPa | 603.72 | Calculated Property |
Similar Compounds
Find more compounds similar to Ametryn.
Sources
- Crippen Method
- Vapor Pressures and Standard Molar Sublimation Enthalpies of Three 6-Methylthio-2,4-di(alkylamino)-1,3,5-triazine Derivatives: Simetryn, Ametryn, and Terbutryn
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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.