- InChI
- InChI=1S/C6H11NS/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3
- InChI Key
- AIVVNNYXOSPRCW-UHFFFAOYSA-N
- Formula
- C6H11NS
- SMILES
- CC1=NC(C)SC1C
- 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).
- Inp : Non-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° | 205.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 35.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.87 | kJ/mol | Joback Calculated Property |
| log10WS | -2.00 | Crippen Calculated Property | |
| logPoct/wat | 1.929 | Crippen Calculated Property | |
| McVol | 106.570 | ml/mol | McGowan Calculated Property |
| Pc | 3759.17 | kPa | Joback Calculated Property |
| Inp | 1005.00 | NIST | |
| Tboil | 452.96 | K | Joback Calculated Property |
| Tc | 682.33 | K | Joback Calculated Property |
| Tfus | 332.31 | K | Joback Calculated Property |
| Vc | 0.393 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.65; 299.53] | J/mol×K | [452.96; 682.33] | 
|
| Cp,gas | 221.65 | J/mol×K | 452.96 | Joback Calculated Property |
| Cp,gas | 236.39 | J/mol×K | 491.19 | Joback Calculated Property |
| Cp,gas | 250.42 | J/mol×K | 529.42 | Joback Calculated Property |
| Cp,gas | 263.75 | J/mol×K | 567.64 | Joback Calculated Property |
| Cp,gas | 276.38 | J/mol×K | 605.87 | Joback Calculated Property |
| Cp,gas | 288.31 | J/mol×K | 644.10 | Joback Calculated Property |
| Cp,gas | 299.53 | J/mol×K | 682.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,5-trimethyl-3-thiazoline.
Sources
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