- 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
- 290.58
- 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
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 | 0.7442 | Relay (1.0) Calculated Property | |
| ΔfG° | 150.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.27 | Relay (1.0) 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 | 607.16 | K | Relay (1.0) Calculated Property |
| Tc | 781.45 | K | Relay (1.0) Calculated Property |
| Tfus | 278.24 | K | Relay (1.0) Calculated Property |
| Vc | 1.038 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 73.90 | kJ/mol | 567.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [385.91; 897.96] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.75440e+01 | |||
| Coefficient B | 1.51262e+00 | |||
| Coefficient C | -7.66200e-04 | |||
| Coefficient D | 1.24000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 385.91 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 472.27 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 550.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 620.54 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 683.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 738.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 787.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 830.25 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 866.87 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 897.96 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [470.83; 663.99] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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