- InChI
- InChI=1S/C6H14O4S4/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3
- InChI Key
- VIISOSSRZYEECK-UHFFFAOYSA-N
- Formula
- C6H14O4S4
- SMILES
- CS(=O)(=O)SCCCCSS(C)(=O)=O
- Molecular Weight1
- 278.43
- CAS
- 55-99-2
- Other Names
-
- 1,4-Butanediol, S-dimethanethiosulfonate
- 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° | -871.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -990.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.85 | kJ/mol | Joback Calculated Property |
| log10WS | -1.75 | Crippen Calculated Property | |
| logPoct/wat | 1.152 | Crippen Calculated Property | |
| McVol | 184.280 | ml/mol | McGowan Calculated Property |
| Pc | 4756.24 | kPa | Joback Calculated Property |
| Tboil | 569.80 | K | Joback Calculated Property |
| Tc | 768.15 | K | Joback Calculated Property |
| Tfus | 303.30 | K | Joback Calculated Property |
| Vc | 0.732 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [409.97; 478.17] | J/mol×K | [569.80; 768.15] | 
|
| Cp,gas | 409.97 | J/mol×K | 569.80 | Joback Calculated Property |
| Cp,gas | 423.12 | J/mol×K | 602.86 | Joback Calculated Property |
| Cp,gas | 435.60 | J/mol×K | 635.92 | Joback Calculated Property |
| Cp,gas | 447.36 | J/mol×K | 668.97 | Joback Calculated Property |
| Cp,gas | 458.40 | J/mol×K | 702.03 | Joback Calculated Property |
| Cp,gas | 468.68 | J/mol×K | 735.09 | Joback Calculated Property |
| Cp,gas | 478.17 | J/mol×K | 768.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methanesulfonothioic acid, S,S'-1,4-butanediyl ester.
Sources
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