- InChI
- InChI=1S/C6H12O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-4H,5-6H2,1-2H3/b4-3+
- InChI Key
- ROPXCSBPIJQJTK-ONEGZZNKSA-N
- Formula
- C6H12O6S2
- SMILES
- CS(=O)(=O)OCC=CCOS(C)(=O)=O
- Molecular Weight1
- 244.29
- CAS
- 70886-56-5
- 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 | 0.6386 | Relay (1.0) Calculated Property | |
| ΔfG° | -1067.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -997.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.505 | Crippen Calculated Property | |
| McVol | 159.020 | ml/mol | McGowan Calculated Property |
| Pc | 4652.99 | kPa | Joback Calculated Property |
| Tboil | 581.61 | K | Relay (1.0) Calculated Property |
| Tc | 790.80 | K | Relay (1.0) Calculated Property |
| Tfus | 317.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.592 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [336.01; 398.89] | J/mol×K | [481.24; 649.82] | 
|
| Cp,gas | 336.01 | J/mol×K | 481.24 | Joback Calculated Property |
| Cp,gas | 347.45 | J/mol×K | 509.34 | Joback Calculated Property |
| Cp,gas | 358.53 | J/mol×K | 537.43 | Joback Calculated Property |
| Cp,gas | 369.23 | J/mol×K | 565.53 | Joback Calculated Property |
| Cp,gas | 379.54 | J/mol×K | 593.63 | Joback Calculated Property |
| Cp,gas | 389.43 | J/mol×K | 621.72 | Joback Calculated Property |
| Cp,gas | 398.89 | J/mol×K | 649.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butene-1,4-disulfonic acid, dimethyl ester (cis and trans).
Sources
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