- InChI
- InChI=1S/C6H12O2S2/c1-3-5-9-10(7,8)6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
- InChI Key
- XYAJCUFWPWSDSN-HWKANZROSA-N
- Formula
- C6H12O2S2
- SMILES
- CC=CSS(=O)(=O)CCC
- Molecular Weight1
- 180.29
- Other Names
-
- 1-Propenyl propanethiosulfonate
- 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).
- Inp : Non-polar retention indices.
- 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° | -355.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -461.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.36 | kJ/mol | Joback Calculated Property |
| log10WS | -2.39 | Crippen Calculated Property | |
| logPoct/wat | 1.993 | Crippen Calculated Property | |
| McVol | 135.540 | ml/mol | McGowan Calculated Property |
| Pc | 4056.96 | kPa | Joback Calculated Property |
| Inp | [1356.00; 1356.00] |
|
|
| Inp | 1356.00 | NIST | |
| Inp | 1356.00 | NIST | |
| Tboil | 457.40 | K | Joback Calculated Property |
| Tc | 651.23 | K | Joback Calculated Property |
| Tfus | 225.26 | K | Joback Calculated Property |
| Vc | 0.531 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [263.41; 326.68] | J/mol×K | [457.40; 651.23] |
|
| Cp,gas | 263.41 | J/mol×K | 457.40 | Joback Calculated Property |
| Cp,gas | 275.28 | J/mol×K | 489.71 | Joback Calculated Property |
| Cp,gas | 286.62 | J/mol×K | 522.01 | Joback Calculated Property |
| Cp,gas | 297.42 | J/mol×K | 554.32 | Joback Calculated Property |
| Cp,gas | 307.70 | J/mol×K | 586.62 | Joback Calculated Property |
| Cp,gas | 317.45 | J/mol×K | 618.93 | Joback Calculated Property |
| Cp,gas | 326.68 | J/mol×K | 651.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to S-1-Propenylpropanethiosulfonate.
Sources
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