- InChI
- InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H
- InChI Key
- FZWLAAWBMGSTSO-UHFFFAOYSA-N
- Formula
- C3H3NS
- SMILES
- c1cscn1
- Molecular Weight1
- 85.13
- CAS
- 288-47-1
- Other Names
-
- 1,3-thiazole
- 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).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 | 904.00 | kJ/mol | NIST |
| BasG | 872.10 | kJ/mol | NIST |
| Cp,liquid | 122.10 | J/mol×K | Thermop... |
| IE | 9.50 | eV | NIST |
| log10WS | -0.99 | Crippen Calculated Property | |
| logPoct/wat | 1.143 | Crippen Calculated Property | |
| McVol | 60.000 | ml/mol | McGowan Calculated Property |
| Inp | [686.00; 760.00] |
|
|
| Inp | 760.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 729.00 | NIST | |
| Inp | 735.00 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | 709.00 | NIST | |
| Inp | 739.00 | NIST | |
| Inp | 730.00 | NIST | |
| Inp | 730.00 | NIST | |
| Inp | 706.00 | NIST | |
| Inp | 686.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 740.00 | NIST | |
| Inp | 735.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 711.00 | NIST | |
| Inp | 728.00 | NIST | |
| Inp | 726.00 | NIST | |
| Inp | 709.00 | NIST | |
| Inp | 703.00 | NIST | |
| Inp | 716.00 | NIST | |
| Inp | 742.00 | NIST | |
| Inp | 745.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | 709.00 | NIST | |
| Inp | 715.00 | NIST | |
| Inp | 735.00 | NIST | |
| Inp | 740.00 | NIST | |
| Inp | 688.00 | NIST | |
| Inp | 760.00 | NIST | |
| I | [1210.00; 1270.00] |
|
|
| I | 1259.00 | NIST | |
| I | 1238.00 | NIST | |
| I | Outlier 1210.00 | NIST | |
| I | 1244.00 | NIST | |
| I | 1252.00 | NIST | |
| I | 1265.00 | NIST | |
| I | 1249.00 | NIST | |
| I | 1262.00 | NIST | |
| I | 1229.00 | NIST | |
| I | 1270.00 | NIST | |
| I | 1270.00 | NIST | |
| I | 1270.00 | NIST | |
| I | 1239.00 | NIST | |
| I | 1248.00 | NIST | |
| I | 1247.00 | NIST | |
| I | 1240.00 | NIST | |
| I | 1235.00 | NIST | |
| I | 1239.00 | NIST | |
| I | 1235.00 | NIST | |
| I | 1240.00 | NIST | |
| I | 1262.00 | NIST | |
| I | 1260.00 | NIST | |
| I | 1246.00 | NIST | |
| I | 1246.00 | NIST | |
| I | 1262.00 | NIST | |
| S°liquid | [169.95; 169.95] | J/mol×K |
|
| S°liquid | 169.95 | J/mol×K | NIST |
| S°liquid | 169.95 | J/mol×K | NIST |
| Tboil | [390.70; 391.39] | K |
|
| Tboil | 390.70 | K | NIST |
| Tboil | 391.39 ± 0.20 | K | NIST |
| Tfus | 239.58 ± 0.05 | K | NIST |
| Ttriple | [239.48; 239.53] | K |
|
| Ttriple | 239.53 ± 0.02 | K | NIST |
| Ttriple | 239.48 ± 0.02 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [121.00; 121.00] | J/mol×K | [298.15; 298.15] |
|
| Cp,liquid | 121.00 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 121.00 | J/mol×K | 298.15 | NIST |
| ΔfusH | [9.54; 9.59] | kJ/mol | [239.40; 239.53] |
|
| ΔfusH | 9.58 | kJ/mol | 239.40 | NIST |
| ΔfusH | 9.59 | kJ/mol | 239.48 | NIST |
| ΔfusH | 9.54 | kJ/mol | 239.53 | NIST |
| ΔvapH | [38.90; 39.70] | kJ/mol | [363.00; 363.50] |
|
| ΔvapH | 39.70 | kJ/mol | 363.00 | NIST |
| ΔvapH | 38.90 | kJ/mol | 363.50 | NIST |
| ΔfusS | [40.04; 40.04] | J/mol×K | [239.48; 239.53] |
|
| ΔfusS | 40.04 | J/mol×K | 239.48 | NIST |
| ΔfusS | 40.04 | J/mol×K | 239.53 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [288.81; 416.27] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47286e+01 | |||
| Coefficient B | -3.45024e+03 | |||
| Coefficient C | -4.98900e+01 | |||
| Temperature range, min. | 288.81 | |||
| Temperature range, max. | 416.27 | |||
| Pvap | 1.33 | kPa | 288.81 | Calculated Property |
| Pvap | 2.99 | kPa | 302.97 | Calculated Property |
| Pvap | 6.16 | kPa | 317.13 | Calculated Property |
| Pvap | 11.80 | kPa | 331.30 | Calculated Property |
| Pvap | 21.23 | kPa | 345.46 | Calculated Property |
| Pvap | 36.20 | kPa | 359.62 | Calculated Property |
| Pvap | 58.92 | kPa | 373.78 | Calculated Property |
| Pvap | 92.06 | kPa | 387.95 | Calculated Property |
| Pvap | 138.77 | kPa | 402.11 | Calculated Property |
| Pvap | 202.65 | kPa | 416.27 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiazole.
Sources
- Crippen Method
- Crippen Method
- Thermophysical properties of sulfur heterocycles: Thiane and thiophene derivatives
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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