- InChI
- InChI=1S/C12H12N2O2S/c1-14(2)9-5-3-8(4-6-9)7-10-11(15)13-12(16)17-10/h3-7H,1-2H3,(H,13,15,16)/b10-7+
- InChI Key
- FONFGNGCCZIGRM-JXMROGBWSA-N
- Formula
- C12H12N2O2S
- SMILES
- CN(C)c1ccc(C=C2SC(=O)NC2=O)cc1
- Molecular Weight1
- 248.30
- CAS
- 3695-48-5
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5945 | Relay (1.0) Calculated Property | |
| ΔfG° | 235.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -160.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.076 | Crippen Calculated Property | |
| McVol | 180.470 | ml/mol | McGowan Calculated Property |
| Pc | 3360.64 | kPa | Joback Calculated Property |
| Tboil | 633.59 | K | Relay (1.0) Calculated Property |
| Tc | 922.68 | K | Relay (1.0) Calculated Property |
| Tfus | 487.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.631 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [494.20; 561.59] | J/mol×K | [776.67; 1049.52] | 
|
| Cp,gas | 494.20 | J/mol×K | 776.67 | Joback Calculated Property |
| Cp,gas | 509.14 | J/mol×K | 822.15 | Joback Calculated Property |
| Cp,gas | 522.60 | J/mol×K | 867.62 | Joback Calculated Property |
| Cp,gas | 534.59 | J/mol×K | 913.10 | Joback Calculated Property |
| Cp,gas | 545.09 | J/mol×K | 958.57 | Joback Calculated Property |
| Cp,gas | 554.09 | J/mol×K | 1004.05 | Joback Calculated Property |
| Cp,gas | 561.59 | J/mol×K | 1049.52 | Joback Calculated Property |
Similar Compounds
![2,4-Thiazolidinedione, 5-[(4-methoxyphenyl)methylene]-.](data:image/png;base64,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)
Find more compounds similar to 2,4-Thiazolidinedione, 5-(p-dimethylaminobenzylidene)-.
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