- InChI
- InChI=1S/C4H5NS/c1-4-5-2-3-6-4/h2-3H,1H3
- InChI Key
- VZWOXDYRBDIHMA-UHFFFAOYSA-N
- Formula
- C4H5NS
- SMILES
- Cc1nccs1
- Molecular Weight1
- 99.15
- CAS
- 3581-87-1
- Other Names
-
- 2-Methylthiazole
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 930.60 | kJ/mol | NIST |
| BasG | 898.70 | kJ/mol | NIST |
| log10WS | -1.47 | Crippen Calculated Property | |
| logPoct/wat | 1.452 | Crippen Calculated Property | |
| McVol | 74.090 | ml/mol | McGowan Calculated Property |
| Inp | [763.00; 832.00] |
|
|
| Inp | 808.00 | NIST | |
| Inp | 777.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 778.00 | NIST | |
| Inp | 832.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 777.00 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 819.00 | NIST | |
| Inp | 791.00 | NIST | |
| Inp | 790.00 | NIST | |
| Inp | 777.00 | NIST | |
| Inp | 780.00 | NIST | |
| I | [1220.00; 1268.00] |
|
|
| I | 1268.00 | NIST | |
| I | 1250.00 | NIST | |
| I | 1265.00 | NIST | |
| I | 1239.00 | NIST | |
| I | 1241.00 | NIST | |
| I | 1243.00 | NIST | |
| I | 1250.00 | NIST | |
| I | 1260.00 | NIST | |
| I | 1260.00 | NIST | |
| I | 1228.00 | NIST | |
| I | 1239.00 | NIST | |
| I | 1220.00 | NIST | |
| I | 1222.00 | NIST | |
| I | 1256.00 | NIST | |
| S°liquid | [211.88; 211.90] | J/mol×K |
|
| S°liquid | 211.90 | J/mol×K | NIST |
| S°liquid | 211.88 | J/mol×K | NIST |
| S°liquid | 211.88 | J/mol×K | NIST |
| Tboil | [401.70; 401.95] | K |
|
| Tboil | 401.70 | K | NIST |
| Tboil | 401.95 ± 0.25 | K | NIST |
| Tfus | 248.43 ± 0.05 | K | NIST |
| Ttriple | [246.50; 248.43] | K |
|
| Ttriple | 248.43 ± 0.02 | K | NIST |
| Ttriple | 246.50 ± 0.20 | K | NIST |
| Ttriple | 248.43 ± 0.02 | K | NIST |
| Ttriple | 246.53 ± 0.02 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [150.67; 150.70] | J/mol×K | [298.15; 298.15] |
|
| Cp,liquid | 150.70 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 150.67 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 150.67 | J/mol×K | 298.15 | NIST |
| ΔfusH | 12.16 | kJ/mol | 248.60 | NIST |
| ΔvapH | [39.40; 40.00] | kJ/mol | [373.00; 377.50] |
|
| ΔvapH | 40.00 | kJ/mol | 373.00 | NIST |
| ΔvapH | 39.40 | kJ/mol | 377.50 | NIST |
Similar Compounds
Find more compounds similar to Thiazole, 2-methyl-.
Sources
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