- InChI
- InChI=1S/C5H7NS/c1-4-3-6-5(2)7-4/h3H,1-2H3
- InChI Key
- WVUHHPQQQLBMOE-UHFFFAOYSA-N
- Formula
- C5H7NS
- SMILES
- Cc1cnc(C)s1
- Molecular Weight1
- 113.18
- CAS
- 4175-66-0
- Other Names
-
- 2,5-Dimethylthiazole
- 2,5-Dimethyl-1,3-thiazole
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.2937 | Relay (1.0) Calculated Property | |
| ΔfG° | 150.18 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 86.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 40.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.760 | Crippen Calculated Property | |
| McVol | 88.180 | ml/mol | McGowan Calculated Property |
| Pc | 4729.93 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [868.00; 934.00] |
|
|
| Inp | 922.00 | NIST | |
| Inp | 887.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 908.00 | NIST | |
| Inp | 934.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 908.00 | NIST | |
| Inp | 868.00 | NIST | |
| Inp | 899.00 | NIST | |
| Inp | 868.00 | NIST | |
| Inp | 922.00 | NIST | |
| I | [1291.00; 1368.00] |
|
|
| I | 1324.00 | NIST | |
| I | Outlier 1291.00 | NIST | |
| I | 1324.00 | NIST | |
| I | 1354.00 | NIST | |
| I | 1326.00 | NIST | |
| I | 1326.00 | NIST | |
| I | 1347.00 | NIST | |
| I | 1365.00 | NIST | |
| I | 1368.00 | NIST | |
| I | 1354.00 | NIST | |
| I | 1326.00 | NIST | |
| I | 1324.00 | NIST | |
| Tboil | 425.99 | K | Relay (1.0) Calculated Property |
| Tc | 649.70 | K | Relay (1.0) Calculated Property |
| Tfus | 242.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.314 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 359.20 | K | 11.00 | NIST |
Similar Compounds
Find more compounds similar to Thiazole, 2,5-dimethyl-.
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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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.