- InChI
- InChI=1S/C14H24N2S/c1-3-5-6-7-8-9-10-13-14(17-4-2)16-12-11-15-13/h11-12H,3-10H2,1-2H3
- InChI Key
- WRDNFEOXTKJRGO-UHFFFAOYSA-N
- Formula
- C14H24N2S
- SMILES
- CCCCCCCCc1nccnc1SCC
- Molecular Weight1
- 252.42
- Other Names
-
- Pyrazine, 3-ethylthio-2-octyl
- 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.
- 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 | 0.6683 | Relay (... Calculated Property | |
| ΔfG° | 240.76 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -25.65 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 87.71 | kJ/mol | Relay (... Calculated Property |
| IE | 8.46 | eV | Relay (... Calculated Property |
| log10WS | -4.67 | Relay (... Calculated Property | |
| logPoct/wat | 4.492 | Crippen Calculated Property | |
| McVol | 220.670 | ml/mol | McGowan Calculated Property |
| Pc | 1951.77 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1879.00; 1879.00] |
|
|
| Inp | 1879.00 | NIST | |
| Inp | 1879.00 | NIST | |
| I | [2308.00; 2308.00] |
|
|
| I | 2308.00 | NIST | |
| I | 2308.00 | NIST | |
| Tboil | 593.41 | K | Relay (... Calculated Property |
| Tc | 811.90 | K | Relay (... Calculated Property |
| Tfus | 272.76 | K | Relay (... Calculated Property |
| Vc | 0.822 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pyrazine, 2-(ethylthio)-3-octyl.
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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