- InChI
- InChI=1S/C4H10S2/c1-3(5)4(2)6/h3-6H,1-2H3
- InChI Key
- TWWSEEHCVDRRRI-UHFFFAOYSA-N
- Formula
- C4H10S2
- SMILES
- CC(S)C(C)S
- Molecular Weight1
- 122.25
- CAS
- 4532-64-3
- Other Names
-
- butane-2,3-dithiol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -107.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.623 | Crippen Calculated Property | |
| McVol | 99.920 | ml/mol | McGowan Calculated Property |
| Tboil | 432.69 | K | Relay (1.0) Calculated Property |
| Tc | 629.65 | K | Relay (1.0) Calculated Property |
| Tfus | 207.08 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [173.92; 226.76] | J/mol×K | [415.96; 645.57] | 
|
| Cp,gas | 173.92 | J/mol×K | 415.96 | Joback Calculated Property |
| Cp,gas | 184.00 | J/mol×K | 454.23 | Joback Calculated Property |
| Cp,gas | 193.55 | J/mol×K | 492.50 | Joback Calculated Property |
| Cp,gas | 202.59 | J/mol×K | 530.76 | Joback Calculated Property |
| Cp,gas | 211.13 | J/mol×K | 569.03 | Joback Calculated Property |
| Cp,gas | 219.18 | J/mol×K | 607.30 | Joback Calculated Property |
| Cp,gas | 226.76 | J/mol×K | 645.57 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [333.25; 507.28] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.30164e+01 | |||
| Coefficient B | -3.39747e+03 | |||
| Coefficient C | -6.63360e+01 | |||
| Temperature range, min. | 333.25 | |||
| Temperature range, max. | 507.28 | |||
| Pvap | 1.33 | kPa | 333.25 | Calculated Property |
| Pvap | 3.15 | kPa | 352.59 | Calculated Property |
| Pvap | 6.68 | kPa | 371.92 | Calculated Property |
| Pvap | 12.94 | kPa | 391.26 | Calculated Property |
| Pvap | 23.28 | kPa | 410.60 | Calculated Property |
| Pvap | 39.34 | kPa | 429.93 | Calculated Property |
| Pvap | 63.07 | kPa | 449.27 | Calculated Property |
| Pvap | 96.61 | kPa | 468.61 | Calculated Property |
| Pvap | 142.31 | kPa | 487.94 | Calculated Property |
| Pvap | 202.64 | kPa | 507.28 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Butanedithiol.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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