- InChI
- InChI=1S/C8H18S2/c1-3-5-7-9-10-8-6-4-2/h3-8H2,1-2H3
- InChI Key
- CUDSBWGCGSUXDB-UHFFFAOYSA-N
- Formula
- C8H18S2
- SMILES
- CCCCSSCCCC
- Molecular Weight1
- 178.36
- CAS
- 629-45-8
- Other Names
-
- (n-C4H9S)2
- 5,6-Dithiadecane
- Butyl disulfide
- Di-n-butyl disulfide
- Dibutyl disulfide
- Dibutyl disulphide
- NSC 36626
- n-Butyl disulfide
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -6702.30 ± 1.80 | kJ/mol | NIST |
| ΔfG° | 82.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -158.40 ± 2.60 | kJ/mol | NIST |
| ΔfH°liquid | -222.90 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 24.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [62.27; 65.00] | kJ/mol |
|
| ΔvapH° | 62.27 | kJ/mol | NIST |
| ΔvapH° | 64.10 | kJ/mol | NIST |
| ΔvapH° | 62.30 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 62.30 | kJ/mol | NIST |
| ΔvapH° | 65.00 ± 2.00 | kJ/mol | NIST |
| ΔvapH° | 64.50 | kJ/mol | NIST |
| IE | 8.51 | eV | NIST |
| 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 | [1288.00; 1307.20] |
|
|
| Inp | 1298.20 | NIST | |
| Inp | 1307.20 | NIST | |
| Inp | 1301.00 | NIST | |
| Inp | 1293.00 | NIST | |
| Inp | 1300.00 | NIST | |
| Inp | 1288.00 | NIST | |
| Inp | 1289.00 | NIST | |
| Inp | 1298.00 | NIST | |
| Inp | 1307.00 | NIST | |
| Inp | 1295.00 | NIST | |
| Inp | 1301.00 | NIST | |
| I | [1567.00; 1592.00] |
|
|
| I | 1568.00 | NIST | |
| I | 1580.00 | NIST | |
| I | 1592.00 | NIST | |
| I | 1567.00 | NIST | |
| Tboil | 504.20 | K | NIST |
| 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 |
| Pvap | [90.32; 695.70] | kPa | [504.20; 614.90] |
|
| Pvap | 90.32 | kPa | 504.20 | Critica... |
| Pvap | 180.30 | kPa | 535.70 | Critica... |
| Pvap | 349.60 | kPa | 571.70 | Critica... |
| Pvap | 695.70 | kPa | 614.90 | Critica... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [378.99; 534.73] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49124e+01 | |||
| Coefficient B | -4.35271e+03 | |||
| Coefficient C | -8.13620e+01 | |||
| Temperature range, min. | 378.99 | |||
| Temperature range, max. | 534.73 | |||
| Pvap | 1.33 | kPa | 378.99 | Calculated Property |
| Pvap | 2.98 | kPa | 396.29 | Calculated Property |
| Pvap | 6.12 | kPa | 413.60 | Calculated Property |
| Pvap | 11.70 | kPa | 430.90 | Calculated Property |
| Pvap | 21.05 | kPa | 448.21 | Calculated Property |
| Pvap | 35.93 | kPa | 465.51 | Calculated Property |
| Pvap | 58.56 | kPa | 482.82 | Calculated Property |
| Pvap | 91.66 | kPa | 500.12 | Calculated Property |
| Pvap | 138.45 | kPa | 517.43 | Calculated Property |
| Pvap | 202.66 | kPa | 534.73 | Calculated Property |
Similar Compounds
Find more compounds similar to Disulfide, dibutyl.
Sources
- Crippen Method
- Crippen Method
- Critical Point and Vapor Pressure Measurements for 17 Compounds by a Low Residence Time Flow Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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