- InChI
- InChI=1S/C4H8O2S2/c1-3-4-7-8(2,5)6/h3-4H,1-2H3/b4-3+
- InChI Key
- PGMBAYKBYBXNNR-ONEGZZNKSA-N
- Formula
- C4H8O2S2
- SMILES
- CC=CSS(C)(=O)=O
- Molecular Weight1
- 152.24
- Other Names
-
- 1-Propenyl methanethiosulfonate
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3581 | Relay (... Calculated Property | |
| ΔfG° | -372.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -356.79 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.15 | kJ/mol | Relay (... Calculated Property |
| IE | 9.10 | eV | Relay (... Calculated Property |
| log10WS | -2.37 | Relay (... Calculated Property | |
| logPoct/wat | 1.213 | Crippen Calculated Property | |
| McVol | 107.360 | ml/mol | McGowan Calculated Property |
| Pc | 5266.25 | kPa | Joback Calculated Property |
| Inp | 1179.00 | NIST | |
| Tboil | 498.80 | K | Relay (... Calculated Property |
| Tc | 695.02 | K | Relay (... Calculated Property |
| Tfus | 275.48 | K | Relay (... Calculated Property |
| Vc | 0.367 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.07; 235.70] | J/mol×K | [411.64; 609.52] | 
|
| Cp,gas | 186.07 | J/mol×K | 411.64 | Joback Calculated Property |
| Cp,gas | 195.33 | J/mol×K | 444.62 | Joback Calculated Property |
| Cp,gas | 204.20 | J/mol×K | 477.60 | Joback Calculated Property |
| Cp,gas | 212.67 | J/mol×K | 510.58 | Joback Calculated Property |
| Cp,gas | 220.75 | J/mol×K | 543.56 | Joback Calculated Property |
| Cp,gas | 228.42 | J/mol×K | 576.54 | Joback Calculated Property |
| Cp,gas | 235.70 | J/mol×K | 609.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to S-1-Propenylmethanethiosulfonate.
Sources
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