- InChI
- InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)
- InChI Key
- HKAMKLBXTLTVCN-UHFFFAOYSA-N
- Formula
- C8H15N5O
- SMILES
- CCNc1nc(NCC)nc(OC)n1
- Molecular Weight1
- 197.24
- CAS
- 673-04-1
- Other Names
-
- s-Triazine, 2,4-bis(ethylamino)-6-methoxy-
- G-30044
- Geigy 30,044
- Gesadural
- Pimeton
- Simeton
- Simetone
- Methoxy simazine
- 2-Methoxy-4,6-bis(ethylamino)-s-triazine
- 2,4-Bis(ethylamino)-6-methoxy-s-triazine
- 4,6-Bis(ethylamino)-2-methoxy-s-triazine
- 2-Methoxy-4,6-bis(ethylamino)-1,3,5-triazine
- NSC 163050
- N,N'-diethyl-6-methoxy-1,3,5-triazine-2,4-diamine
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- I : 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 | 0.6288 | Relay (1.0) Calculated Property | |
| ΔfG° | 310.18 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -130.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 98.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.744 | Crippen Calculated Property | |
| McVol | 155.590 | ml/mol | McGowan Calculated Property |
| Pc | 3350.65 | kPa | Relay (1.0-beta) Calculated Property |
| I | [2680.00; 2714.00] |
|
|
| I | 2680.00 | NIST | |
| I | 2714.00 | NIST | |
| I | 2680.00 | NIST | |
| Tboil | 531.62 | K | Relay (1.0) Calculated Property |
| Tc | 804.73 | K | Relay (1.0) Calculated Property |
| Tfus | 395.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.580 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 98.20 | kJ/mol | 363.00 | NIST |
Similar Compounds
Find more compounds similar to 1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-methoxy-.
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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