- InChI
- InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
- InChI Key
- ZOBPZXTWZATXDG-UHFFFAOYSA-N
- Formula
- C3H3NO2S
- SMILES
- O=C1N=C(O)CS1
- Molecular Weight1
- 117.13
- CAS
- 2295-31-0
- Other Names
-
- 2,4-Dioxothiazolidine
- Thiazolidinedione
- Thiazolidinedione-2,4
- 2,4(3H,5H)-Thiazoledione
- USAF ek-5496
- thiazolidine-2,4-dione
- 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).
- Tboilr : Boiling point at reduced pressure (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° | -63.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -151.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.74 | kJ/mol | Joback Calculated Property |
| log10WS | -0.59 | Crippen Calculated Property | |
| logPoct/wat | 0.810 | Crippen Calculated Property | |
| McVol | 71.740 | ml/mol | McGowan Calculated Property |
| Pc | 7561.44 | kPa | Joback Calculated Property |
| Tboil | 553.66 | K | Joback Calculated Property |
| Tc | 793.69 | K | Joback Calculated Property |
| Tfus | 436.02 | K | Joback Calculated Property |
| Vc | 0.253 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [156.23; 196.31] | J/mol×K | [553.66; 793.69] | 
|
| Cp,gas | 156.23 | J/mol×K | 553.66 | Joback Calculated Property |
| Cp,gas | 163.99 | J/mol×K | 593.67 | Joback Calculated Property |
| Cp,gas | 171.36 | J/mol×K | 633.67 | Joback Calculated Property |
| Cp,gas | 178.31 | J/mol×K | 673.68 | Joback Calculated Property |
| Cp,gas | 184.81 | J/mol×K | 713.68 | Joback Calculated Property |
| Cp,gas | 190.82 | J/mol×K | 753.69 | Joback Calculated Property |
| Cp,gas | 196.31 | J/mol×K | 793.69 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 452.20 | K | 2.50 | NIST |
Similar Compounds
Find more compounds similar to 2,4-Thiazolidinedione.
Sources
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