- InChI
- InChI=1S/C9H20S2/c1-3-5-7-9-11-10-8-6-4-2/h3-9H2,1-2H3
- InChI Key
- KIBWKQMJVBZNFS-UHFFFAOYSA-N
- Formula
- C9H20S2
- SMILES
- CCCCCSSCCCC
- Molecular Weight1
- 192.38
- CAS
- 72437-52-6
- Other Names
-
- 5,6-Dithiaundecane
- Amyl butyl disulfide
- Disulfide, butyl pentyl
- n-Amyl n-butyl disulfide
- n-Butyl n-pentyl 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).
- 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° | 91.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -145.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.26 | kJ/mol | Joback Calculated Property |
| log10WS | -4.35 | Crippen Calculated Property | |
| logPoct/wat | 4.358 | Crippen Calculated Property | |
| McVol | 170.370 | ml/mol | McGowan Calculated Property |
| Pc | 2384.19 | kPa | Joback Calculated Property |
| Inp | 1397.00 | NIST | |
| I | 1690.00 | NIST | |
| Tboil | 542.88 | K | Joback Calculated Property |
| Tc | 745.83 | K | Joback Calculated Property |
| Tfus | 259.99 | K | Joback Calculated Property |
| Vc | 0.647 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [386.99; 468.59] | J/mol×K | [542.88; 745.83] | 
|
| Cp,gas | 386.99 | J/mol×K | 542.88 | Joback Calculated Property |
| Cp,gas | 402.36 | J/mol×K | 576.71 | Joback Calculated Property |
| Cp,gas | 417.01 | J/mol×K | 610.53 | Joback Calculated Property |
| Cp,gas | 430.95 | J/mol×K | 644.36 | Joback Calculated Property |
| Cp,gas | 444.19 | J/mol×K | 678.18 | Joback Calculated Property |
| Cp,gas | 456.73 | J/mol×K | 712.01 | Joback Calculated Property |
| Cp,gas | 468.59 | J/mol×K | 745.83 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [389.89; 554.00] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.46243e+01 | |||
| Coefficient B | -4.36146e+03 | |||
| Coefficient C | -8.56710e+01 | |||
| Temperature range, min. | 389.89 | |||
| Temperature range, max. | 554.00 | |||
| Pvap | 1.33 | kPa | 389.89 | Calculated Property |
| Pvap | 3.00 | kPa | 408.12 | Calculated Property |
| Pvap | 6.19 | kPa | 426.36 | Calculated Property |
| Pvap | 11.85 | kPa | 444.59 | Calculated Property |
| Pvap | 21.33 | kPa | 462.83 | Calculated Property |
| Pvap | 36.36 | kPa | 481.06 | Calculated Property |
| Pvap | 59.13 | kPa | 499.30 | Calculated Property |
| Pvap | 92.30 | kPa | 517.53 | Calculated Property |
| Pvap | 138.96 | kPa | 535.77 | Calculated Property |
| Pvap | 202.65 | kPa | 554.00 | Calculated Property |
Similar Compounds
Find more compounds similar to n-Butyl n-pentyl disulfide.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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