- InChI
- InChI=1S/C22H46S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24-3)21-23-2/h22H,4-21H2,1-3H3
- InChI Key
- JBUWPPATFRBVHZ-UHFFFAOYSA-N
- Formula
- C22H46S2
- SMILES
- CCCCCCCCCCCCCCCCCCC(CSC)SC
- Molecular Weight1
- 374.73
- 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).
- 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).
- 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° | 198.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -418.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.81 | kJ/mol | Joback Calculated Property |
| log10WS | -8.91 | Crippen Calculated Property | |
| logPoct/wat | 8.733 | Crippen Calculated Property | |
| McVol | 353.540 | ml/mol | McGowan Calculated Property |
| Pc | 924.99 | kPa | Joback Calculated Property |
| Inp | [2797.00; 2797.00] |
|
|
| Inp | 2797.00 | NIST | |
| Inp | 2797.00 | NIST | |
| Tboil | 839.88 | K | Joback Calculated Property |
| Tc | 1032.77 | K | Joback Calculated Property |
| Tfus | 391.50 | K | Joback Calculated Property |
| Vc | 1.369 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1117.02; 1223.29] | J/mol×K | [839.88; 1032.77] |
|
| Cp,gas | 1117.02 | J/mol×K | 839.88 | Joback Calculated Property |
| Cp,gas | 1137.63 | J/mol×K | 872.03 | Joback Calculated Property |
| Cp,gas | 1157.03 | J/mol×K | 904.18 | Joback Calculated Property |
| Cp,gas | 1175.26 | J/mol×K | 936.33 | Joback Calculated Property |
| Cp,gas | 1192.35 | J/mol×K | 968.47 | Joback Calculated Property |
| Cp,gas | 1208.35 | J/mol×K | 1000.62 | Joback Calculated Property |
| Cp,gas | 1223.29 | J/mol×K | 1032.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Eicosane, 1,2-bis(methylthio).
Sources
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