- 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
- 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).
- Pvap : Vapor pressure (kPa).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (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 | 0.2405 | Relay (1.0) Calculated Property | |
| ΔfG° | 163.41 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 126.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 38.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.452 | Crippen Calculated Property | |
| McVol | 74.090 | ml/mol | McGowan Calculated Property |
| Pc | 5445.82 | kPa | Relay (1.0-beta) Calculated Property |
| I | [1218.00; 1218.00] |
|
|
| I | 1218.00 | NIST | |
| I | 1218.00 | NIST | |
| Tboil | 400.48 | K | Relay (1.0) Calculated Property |
| Tc | 622.99 | K | Relay (1.0) Calculated Property |
| Tfus | 256.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.255 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [296.32; 427.39] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42228e+01 | |||
| Coefficient B | -3.23985e+03 | |||
| Coefficient C | -6.38240e+01 | |||
| Temperature range, min. | 296.32 | |||
| Temperature range, max. | 427.39 | |||
| Pvap | 1.33 | kPa | 296.32 | Calculated Property |
| Pvap | 3.03 | kPa | 310.88 | Calculated Property |
| Pvap | 6.29 | kPa | 325.45 | Calculated Property |
| Pvap | 12.09 | kPa | 340.01 | Calculated Property |
| Pvap | 21.75 | kPa | 354.57 | Calculated Property |
| Pvap | 37.01 | kPa | 369.14 | Calculated Property |
| Pvap | 60.00 | kPa | 383.70 | Calculated Property |
| Pvap | 93.26 | kPa | 398.26 | Calculated Property |
| Pvap | 139.72 | kPa | 412.83 | Calculated Property |
| Pvap | 202.66 | kPa | 427.39 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylthiazole.
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
- The Yaws Handbook of Vapor Pressure
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