- InChI
- InChI=1S/C7H9NO3S2/c1-2-11-6(10)3-8-5(9)4-13-7(8)12/h2-4H2,1H3
- InChI Key
- QDRLGCJQLOXVLY-UHFFFAOYSA-N
- Formula
- C7H9NO3S2
- SMILES
- CCOC(=O)CN1C(=O)CSC1=S
- Molecular Weight1
- 219.28
- CAS
- 23176-01-4
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.5165 | Relay (1.0) Calculated Property | |
| ΔfG° | -302.98 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -457.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 85.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.410 | Crippen Calculated Property | |
| McVol | 146.020 | ml/mol | McGowan Calculated Property |
| Pc | 2823.18 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 583.43 | K | Relay (1.0) Calculated Property |
| Tc | 814.73 | K | Relay (1.0) Calculated Property |
| Tfus | 367.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.503 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Oxo-2-thioxo-3-thiazolidineacetic acid, ethyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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