- InChI
- InChI=1S/C9H11NO2S/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h1-5H2,(H,10,11,12)
- InChI Key
- OAXPSIPBZAUIDS-UHFFFAOYSA-N
- Formula
- C9H11NO2S
- SMILES
- O=C1NC(=O)C(=C2CCCCC2)S1
- Molecular Weight1
- 197.25
- CAS
- 86199-39-5
- 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).
- 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° | -5.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -231.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.61 | kJ/mol | Joback Calculated Property |
| log10WS | -3.33 | Crippen Calculated Property | |
| logPoct/wat | 2.188 | Crippen Calculated Property | |
| McVol | 141.120 | ml/mol | McGowan Calculated Property |
| Pc | 4238.55 | kPa | Joback Calculated Property |
| Tboil | 690.63 | K | Joback Calculated Property |
| Tc | 977.61 | K | Joback Calculated Property |
| Tfus | 568.67 | K | Joback Calculated Property |
| Vc | 0.498 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [374.37; 453.45] | J/mol×K | [690.63; 977.61] | 
|
| Cp,gas | 374.37 | J/mol×K | 690.63 | Joback Calculated Property |
| Cp,gas | 391.39 | J/mol×K | 738.46 | Joback Calculated Property |
| Cp,gas | 406.95 | J/mol×K | 786.29 | Joback Calculated Property |
| Cp,gas | 421.00 | J/mol×K | 834.12 | Joback Calculated Property |
| Cp,gas | 433.48 | J/mol×K | 881.95 | Joback Calculated Property |
| Cp,gas | 444.31 | J/mol×K | 929.78 | Joback Calculated Property |
| Cp,gas | 453.45 | J/mol×K | 977.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Thiazolidinedione, 5-cyclohexylidene-.
Sources
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