- InChI
- InChI=1S/C4H5NS/c1-4-2-5-3-6-4/h2-3H,1H3
- InChI Key
- RLYUNPNLXMSXAX-UHFFFAOYSA-N
- Formula
- C4H5NS
- SMILES
- Cc1cncs1
- Molecular Weight1
- 99.15
- CAS
- 3581-89-3
- Other Names
-
- 5-Methylthiazole
- 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).
- 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 | 0.2452 | Relay (1.0) Calculated Property | |
| ΔfG° | 176.34 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 119.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 40.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.452 | Crippen Calculated Property | |
| McVol | 74.090 | ml/mol | McGowan Calculated Property |
| Pc | 5605.57 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [814.00; 869.00] |
|
|
| Inp | 865.00 | NIST | |
| Inp | 865.00 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 825.00 | NIST | |
| Inp | 814.00 | NIST | |
| Inp | 814.00 | NIST | |
| Inp | 854.00 | NIST | |
| Inp | 869.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 865.00 | NIST | |
| Inp | 854.00 | NIST | |
| I | [1318.00; 1331.00] |
|
|
| I | 1331.00 | NIST | |
| I | 1318.00 | NIST | |
| I | 1318.00 | NIST | |
| I | 1324.00 | NIST | |
| I | 1318.00 | NIST | |
| Tboil | 407.94 | K | Relay (1.0) Calculated Property |
| Tc | 642.00 | K | Relay (1.0) Calculated Property |
| Tfus | 232.74 ± 0.05 | K | NIST |
| Vc | 0.251 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [7.65; 7.65] | kJ/mol | [232.80; 232.80] |
|
| ΔfusH | 7.65 | kJ/mol | 232.80 | NIST |
| ΔfusH | 7.65 | kJ/mol | 232.80 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 414.70 | K | 99.30 | NIST |
Similar Compounds
Find more compounds similar to Thiazole, 5-methyl-.
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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