- InChI
- InChI=1S/C3H6O3S/c4-7(5)3-1-2-6-7/h1-3H2
- InChI Key
- FSSPGSAQUIYDCN-UHFFFAOYSA-N
- Formula
- C3H6O3S
- SMILES
- O=S1(=O)CCCO1
- Molecular Weight1
- 122.14
- CAS
- 1120-71-4
- Other Names
-
- «gamma»-Propane sultone
- Propane sultone
- 1-Propanesulfonic acid, 3-hydroxy-, «gamma»-sultone
- 1,3-Propane sultone
- 3-Hydroxy-1-propanesulfonic acid, sultone
- 3-Hydroxy-1-propanesulfonic acid «gamma»-sultone
- 3-Hydroxy-1-propanesulphonic acid sultone
- Rcra waste number U193
- NSC 42386
- 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 | 0.4065 | Relay (1.0) Calculated Property | |
| ΔfG° | -529.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -517.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.263 | Crippen Calculated Property | |
| McVol | 76.230 | ml/mol | McGowan Calculated Property |
| Pc | 7305.14 | kPa | Joback Calculated Property |
| Tboil | 554.42 | K | Relay (1.0) Calculated Property |
| Tc | 740.47 | K | Relay (1.0) Calculated Property |
| Tfus | 304.33 ± 0.20 | K | NIST |
| Vc | 0.280 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [123.62; 173.60] | J/mol×K | [341.77; 528.32] | 
|
| Cp,gas | 123.62 | J/mol×K | 341.77 | Joback Calculated Property |
| Cp,gas | 133.07 | J/mol×K | 372.86 | Joback Calculated Property |
| Cp,gas | 142.05 | J/mol×K | 403.95 | Joback Calculated Property |
| Cp,gas | 150.59 | J/mol×K | 435.05 | Joback Calculated Property |
| Cp,gas | 158.68 | J/mol×K | 466.14 | Joback Calculated Property |
| Cp,gas | 166.35 | J/mol×K | 497.23 | Joback Calculated Property |
| Cp,gas | 173.60 | J/mol×K | 528.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Oxathiolane, 2,2-dioxide.
Sources
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