- InChI
- InChI=1S/C24H50S/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
- InChI Key
- UPYPTOCXMIWHSG-UHFFFAOYSA-N
- Formula
- C24H50S
- SMILES
- CCCCCCCCCCCCSCCCCCCCCCCCC
- Molecular Weight1
- 370.72
- CAS
- 2469-45-6
- Other Names
-
- Bis(dodecyl)sulfide
- Bis(n-dodecyl)sulfide
- Didodecyl sulfide
- Dilauryl sulfide
- Dodecyl sulfide
- NSC 12039
- didodecyl sulphide
- n-Dodecyl sulfide
- 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).
- 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).
- Inp : Non-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 | 1.0026 | Relay (1.0) Calculated Property | |
| ΔfG° | 184.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -512.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.561 | Crippen Calculated Property | |
| McVol | 365.370 | ml/mol | McGowan Calculated Property |
| Pc | 814.00 | kPa | Joback Calculated Property |
| Inp | 2678.00 | NIST | |
| Tboil | 634.18 | K | Relay (1.0) Calculated Property |
| Tc | 813.21 | K | Relay (1.0) Calculated Property |
| Tfus | 313.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 1.441 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 534.70 | K | 0.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [535.12; 1284.10] | 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 | 6.72000e-01 | |||
| Coefficient B | 2.27823e+00 | |||
| Coefficient C | -1.24160e-03 | |||
| Coefficient D | 2.46800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 535.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 662.19 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 776.48 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 878.77 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 969.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1050.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1121.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1183.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1237.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1284.10 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Dodecane, 1,1'-thiobis-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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