- InChI
- InChI=1S/C20H26N2S/c1-5-16-10-11-20-18(12-16)22(14-15(2)13-21(3)4)17-8-6-7-9-19(17)23-20/h6-12,15H,5,13-14H2,1-4H3
- InChI Key
- USKHCLAXJXCWMO-UHFFFAOYSA-N
- Formula
- C20H26N2S
- SMILES
-
CCc1ccc2c(c1)N(CC(C)CN(C)C)c1c
cccc1S2 - Molecular Weight1
- 326.50
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (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).
- 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 | 0.6748 | Relay (1.0) Calculated Property | |
| ΔfG° | 381.83 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 138.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 106.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.049 | Crippen Calculated Property | |
| McVol | 270.590 | ml/mol | McGowan Calculated Property |
| Pc | 1638.12 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2455.00; 2455.00] |
|
|
| Inp | 2455.00 | NIST | |
| Inp | 2455.00 | NIST | |
| Tboil | 702.99 | K | Relay (1.0) Calculated Property |
| Tc | 932.46 | K | Relay (1.0) Calculated Property |
| Tfus | 381.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.969 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Ethylisobutrazine.
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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