- InChI
- InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)
- InChI Key
- MZZBPDKVEFVLFF-UHFFFAOYSA-N
- Formula
- C9H13ClN6
- SMILES
-
CCN=c1nc(Cl)nc(NC(C)(C)C#N)[nH
]1 - Molecular Weight1
- 240.69
- CAS
- 21725-46-2
- Other Names
-
- Propanenitrile, 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methyl-
- Propionitrile, 2-[[4-chloro-6-(ethylamino)-s-triazin-2-yl]amino]-2-methyl-
- Bladex
- Bladex 80WP
- DW 3418
- SD 15418
- WL 19805
- 2-[[4-Chloro-6-(ethylamino)-s-triazin-2-yl]amino]-2-methylpropionitrile
- Fortol
- Fortrol
- Payze
- Propionitrile, 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methyl
- S-Triazine, 2-chloro-4-(ethylamino)-6-(1-cyano-1-methyl)(ethylamino)-
- 2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamino-s-triazine
- Cyanazin
- 2-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- 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).
- 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 | 0.6387 | Relay (1.0) Calculated Property | |
| ΔfG° | 442.56 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 119.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.611 | Crippen Calculated Property | |
| McVol | 177.430 | ml/mol | McGowan Calculated Property |
| Pc | 2562.36 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 584.08 | K | Relay (1.0) Calculated Property |
| Tc | 873.12 | K | Relay (1.0) Calculated Property |
| Tfus | 438.74 ± 0.20 | K | NIST |
| Vc | 0.632 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 41.96 | kJ/mol | 437.90 | NIST |
| ΔsubH | 90.70 | kJ/mol | 352.00 | NIST |
Similar Compounds
Find more compounds similar to Cyanazine.
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
- McGowan Method
- NIST Webbook
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