- InChI
- InChI=1S/C4H10S2/c1-3-4-6-5-2/h3-4H2,1-2H3
- InChI Key
- PUCHCUYBORIUSM-UHFFFAOYSA-N
- Formula
- C4H10S2
- SMILES
- CCCSSC
- Molecular Weight1
- 122.25
- CAS
- 2179-60-4
- Other Names
-
- 2,3-Dithiahexane
- Methyl n-propyl disulfide
- Methyl propyl disulfide
- Methyl propyl disulphide
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | 49.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -42.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.13 | kJ/mol | Joback Calculated Property |
| log10WS | -2.25 | Crippen Calculated Property | |
| logPoct/wat | 2.408 | Crippen Calculated Property | |
| McVol | 99.920 | ml/mol | McGowan Calculated Property |
| Pc | 4067.32 | kPa | Joback Calculated Property |
| Inp | [894.00; 946.00] |
|
|
| Inp | 932.10 | NIST | |
| Inp | 928.00 | NIST | |
| Inp | 894.00 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 908.00 | NIST | |
| Inp | 928.00 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 909.70 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 932.10 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 908.00 | NIST | |
| Inp | 895.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 894.00 | NIST | |
| Inp | 938.00 | NIST | |
| Inp | 923.00 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 936.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 922.00 | NIST | |
| I | [1205.00; 1274.00] |
|
|
| I | 1215.00 | NIST | |
| I | 1260.00 | NIST | |
| I | 1238.00 | NIST | |
| I | 1218.00 | NIST | |
| I | 1242.00 | NIST | |
| I | 1217.00 | NIST | |
| I | 1271.00 | NIST | |
| I | 1242.00 | NIST | |
| I | 1226.00 | NIST | |
| I | 1218.00 | NIST | |
| I | 1263.00 | NIST | |
| I | 1205.00 | NIST | |
| I | 1252.00 | NIST | |
| I | 1252.00 | NIST | |
| I | 1215.00 | NIST | |
| I | 1243.00 | NIST | |
| I | 1252.00 | NIST | |
| I | 1229.00 | NIST | |
| I | 1227.00 | NIST | |
| I | 1240.00 | NIST | |
| I | 1274.00 | NIST | |
| I | 1225.00 | NIST | |
| I | 1238.00 | NIST | |
| I | 1242.00 | NIST | |
| I | 1252.00 | NIST | |
| I | 1229.00 | NIST | |
| I | 1260.00 | NIST | |
| Tboil | 428.48 | K | Joback Calculated Property |
| Tc | 646.67 | K | Joback Calculated Property |
| Tfus | 203.64 | K | Joback Calculated Property |
| Vc | 0.367 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [175.81; 226.91] | J/mol×K | [428.48; 646.67] |
|
| Cp,gas | 175.81 | J/mol×K | 428.48 | Joback Calculated Property |
| Cp,gas | 185.27 | J/mol×K | 464.85 | Joback Calculated Property |
| Cp,gas | 194.36 | J/mol×K | 501.21 | Joback Calculated Property |
| Cp,gas | 203.07 | J/mol×K | 537.58 | Joback Calculated Property |
| Cp,gas | 211.40 | J/mol×K | 573.94 | Joback Calculated Property |
| Cp,gas | 219.35 | J/mol×K | 610.31 | Joback Calculated Property |
| Cp,gas | 226.91 | J/mol×K | 646.67 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 343.20 | K | 5.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [313.72; 447.03] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49034e+01 | |||
| Coefficient B | -3.71998e+03 | |||
| Coefficient C | -5.92030e+01 | |||
| Temperature range, min. | 313.72 | |||
| Temperature range, max. | 447.03 | |||
| Pvap | 1.33 | kPa | 313.72 | Calculated Property |
| Pvap | 2.98 | kPa | 328.53 | Calculated Property |
| Pvap | 6.12 | kPa | 343.34 | Calculated Property |
| Pvap | 11.71 | kPa | 358.16 | Calculated Property |
| Pvap | 21.06 | kPa | 372.97 | Calculated Property |
| Pvap | 35.94 | kPa | 387.78 | Calculated Property |
| Pvap | 58.58 | kPa | 402.59 | Calculated Property |
| Pvap | 91.68 | kPa | 417.41 | Calculated Property |
| Pvap | 138.47 | kPa | 432.22 | Calculated Property |
| Pvap | 202.67 | kPa | 447.03 | Calculated Property |
Similar Compounds
Find more compounds similar to Disulfide, methyl propyl.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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