- InChI
- InChI=1S/C16H34S2/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
- InChI Key
- AROCLDYPZXMJPW-UHFFFAOYSA-N
- Formula
- C16H34S2
- SMILES
- CCCCCCCCSSCCCCCCCC
- Molecular Weight1
- 290.57
- CAS
- 822-27-5
- Other Names
-
- 9,10-Dithiaoctadecane
- Bis(1-octyl) disulfide
- Diheptyl disulfide
- Dioctyl disulfide
- Disulfide, dioctyl
- Octyl disulfide
- di-n-Octyl disulfide
- n-Octyl 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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° | 150.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -289.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.84 | kJ/mol | Joback Calculated Property |
| log10WS | -7.28 | Crippen Calculated Property | |
| logPoct/wat | 7.089 | Crippen Calculated Property | |
| McVol | 269.000 | ml/mol | McGowan Calculated Property |
| Pc | 1351.64 | kPa | Joback Calculated Property |
| Tboil | 703.04 | K | Joback Calculated Property |
| Tc | 890.73 | K | Joback Calculated Property |
| Tfus | 338.88 | K | Joback Calculated Property |
| Vc | 1.040 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [755.36; 854.61] | J/mol×K | [703.04; 890.73] | 
|
| Cp,gas | 755.36 | J/mol×K | 703.04 | Joback Calculated Property |
| Cp,gas | 774.24 | J/mol×K | 734.32 | Joback Calculated Property |
| Cp,gas | 792.15 | J/mol×K | 765.60 | Joback Calculated Property |
| Cp,gas | 809.12 | J/mol×K | 796.89 | Joback Calculated Property |
| Cp,gas | 825.17 | J/mol×K | 828.17 | Joback Calculated Property |
| Cp,gas | 840.33 | J/mol×K | 859.45 | Joback Calculated Property |
| Cp,gas | 854.61 | J/mol×K | 890.73 | Joback Calculated Property |
| ΔvapH | 73.90 | kJ/mol | 567.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [470.83; 663.99] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.46108e+01 | |||
| Coefficient B | -5.12127e+03 | |||
| Coefficient C | -1.13276e+02 | |||
| Temperature range, min. | 470.83 | |||
| Temperature range, max. | 663.99 | |||
| Pvap | 1.33 | kPa | 470.83 | Calculated Property |
| Pvap | 3.00 | kPa | 492.29 | Calculated Property |
| Pvap | 6.19 | kPa | 513.75 | Calculated Property |
| Pvap | 11.86 | kPa | 535.22 | Calculated Property |
| Pvap | 21.35 | kPa | 556.68 | Calculated Property |
| Pvap | 36.38 | kPa | 578.14 | Calculated Property |
| Pvap | 59.16 | kPa | 599.60 | Calculated Property |
| Pvap | 92.33 | kPa | 621.07 | Calculated Property |
| Pvap | 138.98 | kPa | 642.53 | Calculated Property |
| Pvap | 202.64 | kPa | 663.99 | Calculated Property |
Similar Compounds
Find more compounds similar to Dioctyl disulphide.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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