- InChI
- InChI=1S/C3H8S2/c1-3-5-4-2/h3H2,1-2H3
- InChI Key
- XLTBPTGNNLIKRW-UHFFFAOYSA-N
- Formula
- C3H8S2
- SMILES
- CCSSC
- Molecular Weight1
- 108.23
- CAS
- 20333-39-5
- Other Names
-
- 2,3-Dithiapentane
- Disulfide, ethyl methyl
- Ethanesulfenothioic acid, methyl ester
- Ethyl methyl disulfide
- Methyl ethyl disulphide
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : 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 | 0.2192 | Relay (1.0) Calculated Property | |
| ΔfG° | 40.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -49.40 | kJ/mol | NIST |
| ΔfusH° | 11.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.018 | Crippen Calculated Property | |
| McVol | 85.830 | ml/mol | McGowan Calculated Property |
| Pc | 4615.13 | kPa | Joback Calculated Property |
| Inp | [815.00; 872.00] |
|
|
| Inp | 833.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 830.00 | NIST | |
| Inp | 861.00 | NIST | |
| Inp | 861.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 821.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 821.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 872.00 | NIST | |
| Inp | 869.00 | NIST | |
| Inp | 854.00 | NIST | |
| Inp | 833.00 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 861.00 | NIST | |
| Inp | 838.00 | NIST | |
| I | [1118.00; 1190.00] |
|
|
| I | 1178.00 | NIST | |
| I | 1156.00 | NIST | |
| I | 1148.00 | NIST | |
| I | 1178.30 | NIST | |
| I | Outlier 1118.00 | NIST | |
| I | 1155.00 | NIST | |
| I | 1151.00 | NIST | |
| I | 1141.00 | NIST | |
| I | 1190.00 | NIST | |
| I | 1178.00 | NIST | |
| I | 1148.00 | NIST | |
| I | 1156.00 | NIST | |
| I | 1178.30 | NIST | |
| Tboil | 400.15 | K | Relay (1.0) Calculated Property |
| Tc | 624.02 | K | Relay (1.0) Calculated Property |
| Tfus | 176.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.305 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [140.21; 182.59] | J/mol×K | [405.60; 626.51] |
|
| Cp,gas | 140.21 | J/mol×K | 405.60 | Joback Calculated Property |
| Cp,gas | 147.98 | J/mol×K | 442.42 | Joback Calculated Property |
| Cp,gas | 155.48 | J/mol×K | 479.24 | Joback Calculated Property |
| Cp,gas | 162.70 | J/mol×K | 516.06 | Joback Calculated Property |
| Cp,gas | 169.63 | J/mol×K | 552.88 | Joback Calculated Property |
| Cp,gas | 176.26 | J/mol×K | 589.70 | Joback Calculated Property |
| Cp,gas | 182.59 | J/mol×K | 626.51 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 341.95] | kPa | [302.12; 436.88] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.59997e+01 | |||
| Coefficient B | -3.88008e+03 | |||
| Coefficient C | -5.51720e+01 | |||
| Temperature range, min. | 302.12 | |||
| Temperature range, max. | 436.88 | |||
| Pvap | 1.33 | kPa | 302.12 | Calculated Property |
| Pvap | 3.27 | kPa | 317.09 | Calculated Property |
| Pvap | 7.29 | kPa | 332.07 | Calculated Property |
| Pvap | 14.97 | kPa | 347.04 | Calculated Property |
| Pvap | 28.63 | kPa | 362.01 | Calculated Property |
| Pvap | 51.56 | kPa | 376.99 | Calculated Property |
| Pvap | 88.14 | kPa | 391.96 | Calculated Property |
| Pvap | 143.92 | kPa | 406.93 | Calculated Property |
| Pvap | 225.80 | kPa | 421.91 | Calculated Property |
| Pvap | 341.95 | kPa | 436.88 | Calculated Property |
Similar Compounds
Find more compounds similar to Methyl ethyl disulfide.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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