- InChI
- InChI=1S/C6H9NOS/c1-2-5(8)6-7-3-4-9-6/h2-4H2,1H3
- InChI Key
- MFQABLFJUQNPAC-UHFFFAOYSA-N
- Formula
- C6H9NOS
- SMILES
- CCC(=O)C1=NCCS1
- Molecular Weight1
- 143.21
- 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° | 91.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -36.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.24 | kJ/mol | Joback Calculated Property |
| log10WS | -1.05 | Crippen Calculated Property | |
| logPoct/wat | 1.111 | Crippen Calculated Property | |
| McVol | 108.140 | ml/mol | McGowan Calculated Property |
| Pc | 4432.62 | kPa | Joback Calculated Property |
| Inp | [1196.00; 1212.00] |
|
|
| Inp | 1212.00 | NIST | |
| Inp | 1205.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1205.00 | NIST | |
| Inp | 1212.00 | NIST | |
| I | [1803.00; 1850.00] |
|
|
| I | 1850.00 | NIST | |
| I | 1840.00 | NIST | |
| I | 1803.00 | NIST | |
| I | 1850.00 | NIST | |
| Tboil | 516.17 | K | Joback Calculated Property |
| Tc | 756.55 | K | Joback Calculated Property |
| Tfus | 390.72 | K | Joback Calculated Property |
| Vc | 0.401 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [235.98; 301.46] | J/mol×K | [516.17; 756.55] |
|
| Cp,gas | 235.98 | J/mol×K | 516.17 | Joback Calculated Property |
| Cp,gas | 248.87 | J/mol×K | 556.23 | Joback Calculated Property |
| Cp,gas | 260.95 | J/mol×K | 596.30 | Joback Calculated Property |
| Cp,gas | 272.22 | J/mol×K | 636.36 | Joback Calculated Property |
| Cp,gas | 282.72 | J/mol×K | 676.43 | Joback Calculated Property |
| Cp,gas | 292.46 | J/mol×K | 716.49 | Joback Calculated Property |
| Cp,gas | 301.46 | J/mol×K | 756.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propionyl-2-thiazoline.
Sources
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