- InChI
- InChI=1S/C3H4O2S/c4-3-5-1-2-6-3/h1-2H2
- InChI Key
- DAJDXKBYZZGECL-UHFFFAOYSA-N
- Formula
- C3H4O2S
- SMILES
- O=C1OCCS1
- Molecular Weight1
- 104.13
- CAS
- 3326-89-4
- 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° | -150.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -248.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.41 | kJ/mol | Joback Calculated Property |
| log10WS | -0.70 | Crippen Calculated Property | |
| logPoct/wat | 0.870 | Crippen Calculated Property | |
| McVol | 66.060 | ml/mol | McGowan Calculated Property |
| Pc | 6170.82 | kPa | Joback Calculated Property |
| Tboil | 430.59 | K | Joback Calculated Property |
| Tc | 674.50 | K | Joback Calculated Property |
| Tfus | 316.95 | K | Joback Calculated Property |
| Vc | 0.220 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [117.19; 160.88] | J/mol×K | [430.59; 674.50] | 
|
| Cp,gas | 117.19 | J/mol×K | 430.59 | Joback Calculated Property |
| Cp,gas | 125.42 | J/mol×K | 471.24 | Joback Calculated Property |
| Cp,gas | 133.29 | J/mol×K | 511.89 | Joback Calculated Property |
| Cp,gas | 140.78 | J/mol×K | 552.54 | Joback Calculated Property |
| Cp,gas | 147.88 | J/mol×K | 593.20 | Joback Calculated Property |
| Cp,gas | 154.58 | J/mol×K | 633.85 | Joback Calculated Property |
| Cp,gas | 160.88 | J/mol×K | 674.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Oxathiolan-2-one.
Sources
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