- InChI
- InChI=1S/C6H11NS/c1-5(2)6-7-3-4-8-6/h5H,3-4H2,1-2H3
- InChI Key
- HTSOMKXWOBFXMF-UHFFFAOYSA-N
- Formula
- C6H11NS
- SMILES
- CC(C)C1=NCCS1
- Molecular Weight1
- 129.22
- 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).
- 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° | 218.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 70.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.10 | kJ/mol | Joback Calculated Property |
| log10WS | -1.53 | Crippen Calculated Property | |
| logPoct/wat | 1.788 | Crippen Calculated Property | |
| McVol | 106.570 | ml/mol | McGowan Calculated Property |
| Pc | 4124.99 | kPa | Joback Calculated Property |
| I | [1355.00; 1355.00] |
|
|
| I | 1355.00 | NIST | |
| I | 1355.00 | NIST | |
| Tboil | 461.86 | K | Joback Calculated Property |
| Tc | 697.46 | K | Joback Calculated Property |
| Tfus | 325.79 | K | Joback Calculated Property |
| Vc | 0.389 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [219.97; 294.79] | J/mol×K | [461.86; 697.46] |
|
| Cp,gas | 219.97 | J/mol×K | 461.86 | Joback Calculated Property |
| Cp,gas | 234.46 | J/mol×K | 501.13 | Joback Calculated Property |
| Cp,gas | 248.11 | J/mol×K | 540.39 | Joback Calculated Property |
| Cp,gas | 260.95 | J/mol×K | 579.66 | Joback Calculated Property |
| Cp,gas | 273.00 | J/mol×K | 618.93 | Joback Calculated Property |
| Cp,gas | 284.27 | J/mol×K | 658.20 | Joback Calculated Property |
| Cp,gas | 294.79 | J/mol×K | 697.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Isopropyl-4,5-dihydrothiazole.
Sources
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