- InChI
- InChI=1S/C8H18S2/c1-3-5-6-8-10-9-7-4-2/h3-8H2,1-2H3
- InChI Key
- XFQOVVIJIMLZCY-UHFFFAOYSA-N
- Formula
- C8H18S2
- SMILES
- CCCCCSSCCC
- Molecular Weight1
- 178.36
- CAS
- 67727-99-5
- Other Names
-
- 4,5-Dithiadecane
- Pentyl propyl disulfide
- Propyl pentyl disulfide
- 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).
- 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° | 82.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -124.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.04 | kJ/mol | Joback Calculated Property |
| log10WS | -3.93 | Crippen Calculated Property | |
| logPoct/wat | 3.968 | Crippen Calculated Property | |
| McVol | 156.280 | ml/mol | McGowan Calculated Property |
| Pc | 2624.46 | kPa | Joback Calculated Property |
| Inp | 1304.00 | NIST | |
| I | 1568.00 | NIST | |
| Tboil | 520.00 | K | Joback Calculated Property |
| Tc | 726.00 | K | Joback Calculated Property |
| Tfus | 248.72 | K | Joback Calculated Property |
| Vc | 0.592 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [340.73; 417.78] | J/mol×K | [520.00; 726.00] | 
|
| Cp,gas | 340.73 | J/mol×K | 520.00 | Joback Calculated Property |
| Cp,gas | 355.21 | J/mol×K | 554.33 | Joback Calculated Property |
| Cp,gas | 369.03 | J/mol×K | 588.67 | Joback Calculated Property |
| Cp,gas | 382.19 | J/mol×K | 623.00 | Joback Calculated Property |
| Cp,gas | 394.70 | J/mol×K | 657.33 | Joback Calculated Property |
| Cp,gas | 406.56 | J/mol×K | 691.67 | Joback Calculated Property |
| Cp,gas | 417.78 | J/mol×K | 726.00 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [379.09; 534.16] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49392e+01 | |||
| Coefficient B | -4.35401e+03 | |||
| Coefficient C | -8.19180e+01 | |||
| Temperature range, min. | 379.09 | |||
| Temperature range, max. | 534.16 | |||
| Pvap | 1.33 | kPa | 379.09 | Calculated Property |
| Pvap | 2.98 | kPa | 396.32 | Calculated Property |
| Pvap | 6.11 | kPa | 413.55 | Calculated Property |
| Pvap | 11.69 | kPa | 430.78 | Calculated Property |
| Pvap | 21.03 | kPa | 448.01 | Calculated Property |
| Pvap | 35.89 | kPa | 465.24 | Calculated Property |
| Pvap | 58.51 | kPa | 482.47 | Calculated Property |
| Pvap | 91.60 | kPa | 499.70 | Calculated Property |
| Pvap | 138.41 | kPa | 516.93 | Calculated Property |
| Pvap | 202.67 | kPa | 534.16 | Calculated Property |
Similar Compounds
Find more compounds similar to Disulfide, pentyl propyl.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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