- InChI
- InChI=1S/C3H6O4S/c4-8(5)6-2-1-3-7-8/h1-3H2
- InChI Key
- OQYOVYWFXHQYOP-UHFFFAOYSA-N
- Formula
- C3H6O4S
- SMILES
- O=S1(=O)OCCCO1
- Molecular Weight1
- 138.14
- CAS
- 1073-05-8
- Other Names
-
- 1,3-Propanediol, cyclic sulfate
- 1,3-Propylene sulfate
- Trimethylene sulfate
- 1,3-Propanediol, cyclic sulphate
- 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° | -627.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -744.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.66 | kJ/mol | Joback Calculated Property |
| log10WS | 0.04 | Crippen Calculated Property | |
| logPoct/wat | -0.332 | Crippen Calculated Property | |
| McVol | 82.100 | ml/mol | McGowan Calculated Property |
| Pc | 7509.11 | kPa | Joback Calculated Property |
| Tboil | 372.99 | K | Joback Calculated Property |
| Tc | 569.55 | K | Joback Calculated Property |
| Tfus | 334.20 ± 2.00 | K | NIST |
| Vc | 0.297 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [146.99; 200.03] | J/mol×K | [372.99; 569.55] | 
|
| Cp,gas | 146.99 | J/mol×K | 372.99 | Joback Calculated Property |
| Cp,gas | 157.00 | J/mol×K | 405.75 | Joback Calculated Property |
| Cp,gas | 166.53 | J/mol×K | 438.51 | Joback Calculated Property |
| Cp,gas | 175.59 | J/mol×K | 471.27 | Joback Calculated Property |
| Cp,gas | 184.20 | J/mol×K | 504.03 | Joback Calculated Property |
| Cp,gas | 192.34 | J/mol×K | 536.79 | Joback Calculated Property |
| Cp,gas | 200.03 | J/mol×K | 569.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,2-Dioxathiane, 2,2-dioxide.
Sources
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