- InChI
- InChI=1S/C5H7NS/c1-4-3-7-5(2)6-4/h3H,1-2H3
- InChI Key
- OBSLLHNATPQFMJ-UHFFFAOYSA-N
- Formula
- C5H7NS
- SMILES
- Cc1csc(C)n1
- Molecular Weight1
- 113.18
- CAS
- 541-58-2
- Other Names
-
- 2,4-Dimethylthiazole
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.3061 | Relay (1.0) Calculated Property | |
| ΔfG° | 148.50 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 76.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 40.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.760 | Crippen Calculated Property | |
| McVol | 88.180 | ml/mol | McGowan Calculated Property |
| Pc | 4719.71 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [857.00; 899.00] |
|
|
| Inp | 887.00 | NIST | |
| Inp | 887.00 | NIST | |
| Inp | 887.00 | NIST | |
| Inp | 883.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 858.00 | NIST | |
| Inp | 860.00 | NIST | |
| Inp | 883.00 | NIST | |
| Inp | 861.00 | NIST | |
| Inp | 892.00 | NIST | |
| Inp | 860.00 | NIST | |
| Inp | 868.00 | NIST | |
| Inp | 899.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 858.00 | NIST | |
| Inp | 869.00 | NIST | |
| I | [1256.00; 1293.00] |
|
|
| I | 1291.00 | NIST | |
| I | 1291.00 | NIST | |
| I | 1282.00 | NIST | |
| I | 1285.00 | NIST | |
| I | 1285.00 | NIST | |
| I | 1293.00 | NIST | |
| I | 1283.00 | NIST | |
| I | 1268.00 | NIST | |
| I | 1256.00 | NIST | |
| I | 1258.00 | NIST | |
| I | 1271.00 | NIST | |
| Tboil | 418.87 | K | Relay (1.0) Calculated Property |
| Tc | 634.06 | K | Relay (1.0) Calculated Property |
| Tfus | 222.84 ± 0.05 | K | NIST |
| Vc | 0.315 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [2.90; 2.90] | kJ/mol | [222.90; 222.90] |
|
| ΔfusH | 2.90 | kJ/mol | 222.90 | NIST |
| ΔfusH | 2.90 | kJ/mol | 222.90 | NIST |
| ΔvapH | 42.00 | kJ/mol | 389.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 344.70 | K | 6.70 | NIST |
Similar Compounds
Find more compounds similar to Thiazole, 2,4-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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