- InChI
- InChI=1S/C6H11NOS/c1-5(8)6(2)7-3-4-9-6/h7H,3-4H2,1-2H3
- InChI Key
- WLXIBDDBHZVOIL-UHFFFAOYSA-N
- Formula
- C6H11NOS
- SMILES
- CC(=O)C1(C)NCCS1
- Molecular Weight1
- 145.22
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 29.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -120.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.37 | kJ/mol | Joback Calculated Property |
| log10WS | -1.19 | Crippen Calculated Property | |
| logPoct/wat | 0.628 | Crippen Calculated Property | |
| McVol | 112.440 | ml/mol | McGowan Calculated Property |
| Pc | 4522.49 | kPa | Joback Calculated Property |
| Inp | [1134.00; 1155.00] |
|
|
| Inp | 1134.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1155.00 | NIST | |
| I | [1789.00; 1789.00] |
|
|
| I | 1789.00 | NIST | |
| I | 1789.00 | NIST | |
| I | 1789.00 | NIST | |
| Tboil | 502.45 | K | Joback Calculated Property |
| Tc | 744.89 | K | Joback Calculated Property |
| Tfus | 430.59 | K | Joback Calculated Property |
| Vc | 0.400 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [239.19; 306.13] | J/mol×K | [502.45; 744.89] |
|
| Cp,gas | 239.19 | J/mol×K | 502.45 | Joback Calculated Property |
| Cp,gas | 252.38 | J/mol×K | 542.86 | Joback Calculated Property |
| Cp,gas | 264.57 | J/mol×K | 583.26 | Joback Calculated Property |
| Cp,gas | 275.89 | J/mol×K | 623.67 | Joback Calculated Property |
| Cp,gas | 286.50 | J/mol×K | 664.08 | Joback Calculated Property |
| Cp,gas | 296.53 | J/mol×K | 704.49 | Joback Calculated Property |
| Cp,gas | 306.13 | J/mol×K | 744.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-acetyl-2-methylthiazolidine.
Sources
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