- InChI
- InChI=1S/C4H4O3S/c5-3-1-8-2-4(6)7-3/h1-2H2
- InChI Key
- RIIUAPMWDSRBSH-UHFFFAOYSA-N
- Formula
- C4H4O3S
- SMILES
- O=C1CSCC(=O)O1
- Molecular Weight1
- 132.14
- CAS
- 3261-87-8
- Other Names
-
- 1-Oxa-4-thia-cyclohexan-2,6-dione
- 1,4-Oxathiane-2,6-dione
- 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 | 0.4186 | Relay (1.0) Calculated Property | |
| ΔfG° | -276.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -479.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.197 | Crippen Calculated Property | |
| McVol | 81.720 | ml/mol | McGowan Calculated Property |
| Pc | 5836.07 | kPa | Joback Calculated Property |
| Tboil | 546.11 | K | Relay (1.0) Calculated Property |
| Tc | 781.66 | K | Relay (1.0) Calculated Property |
| Tfus | 442.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.274 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [168.85; 224.82] | J/mol×K | [525.56; 794.41] | 
|
| Cp,gas | 168.85 | J/mol×K | 525.56 | Joback Calculated Property |
| Cp,gas | 179.52 | J/mol×K | 570.37 | Joback Calculated Property |
| Cp,gas | 189.77 | J/mol×K | 615.18 | Joback Calculated Property |
| Cp,gas | 199.50 | J/mol×K | 659.99 | Joback Calculated Property |
| Cp,gas | 208.64 | J/mol×K | 704.80 | Joback Calculated Property |
| Cp,gas | 217.11 | J/mol×K | 749.60 | Joback Calculated Property |
| Cp,gas | 224.82 | J/mol×K | 794.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thiodiglycolic anhydride.
Sources
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