- InChI
- InChI=1S/C10H22S2/c1-3-5-7-9-11-12-10-8-6-4-2/h3-10H2,1-2H3
- InChI Key
- YSQZSPCQDXHJDJ-UHFFFAOYSA-N
- Formula
- C10H22S2
- SMILES
- CCCCCSSCCCCC
- Molecular Weight1
- 206.41
- CAS
- 112-51-6
- Other Names
-
- 6,7-Dithiadodecane
- Bis(1-pentyl) disulfide
- Diamyl disulfide
- Dipentyl disulfide
- Pentyl disulfide
- di-n-Amyl disulfide
- dipentyl disulphide
- n-Amyl 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).
- 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 |
|---|---|---|---|
| ω | 0.5242 | Relay (1.0) Calculated Property | |
| ΔfG° | 99.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -201.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.10 ± 0.20 | kJ/mol | NIST |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.748 | Crippen Calculated Property | |
| McVol | 184.460 | ml/mol | McGowan Calculated Property |
| Pc | 2175.46 | kPa | Joback Calculated Property |
| Inp | [1456.00; 1492.00] |
|
|
| Inp | 1492.00 | NIST | |
| Inp | 1480.00 | NIST | |
| Inp | 1456.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1456.00 | NIST | |
| I | [1746.00; 1768.00] |
|
|
| I | 1746.00 | NIST | |
| I | 1768.00 | NIST | |
| Tboil | 535.90 | K | Relay (1.0) Calculated Property |
| Tc | 720.68 | K | Relay (1.0) Calculated Property |
| Tfus | 234.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.695 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 59.80 | kJ/mol | 490.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 392.20 | K | 0.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.63; 588.42] | 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 | 3.29980e+01 | |||
| Coefficient B | 9.42620e-01 | |||
| Coefficient C | -4.39800e-04 | |||
| Coefficient D | 5.26000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 258.63 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 313.76 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 363.88 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 409.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 449.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 485.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 517.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 545.16 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 568.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 588.42 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [405.15; 571.03] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48424e+01 | |||
| Coefficient B | -4.58034e+03 | |||
| Coefficient C | -9.04530e+01 | |||
| Temperature range, min. | 405.15 | |||
| Temperature range, max. | 571.03 | |||
| Pvap | 1.33 | kPa | 405.15 | Calculated Property |
| Pvap | 2.98 | kPa | 423.58 | Calculated Property |
| Pvap | 6.13 | kPa | 442.01 | Calculated Property |
| Pvap | 11.74 | kPa | 460.44 | Calculated Property |
| Pvap | 21.12 | kPa | 478.87 | Calculated Property |
| Pvap | 36.03 | kPa | 497.31 | Calculated Property |
| Pvap | 58.69 | kPa | 515.74 | Calculated Property |
| Pvap | 91.81 | kPa | 534.17 | Calculated Property |
| Pvap | 138.57 | kPa | 552.60 | Calculated Property |
| Pvap | 202.66 | kPa | 571.03 | Calculated Property |
Similar Compounds
Find more compounds similar to Disulfide, dipentyl.
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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