- InChI
- InChI=1S/C21H44S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23-3)20-22-2/h21H,4-20H2,1-3H3
- InChI Key
- WMVUSGRBCWIAIO-UHFFFAOYSA-N
- Formula
- C21H44S2
- SMILES
- CCCCCCCCCCCCCCCCCC(CSC)SC
- Molecular Weight1
- 360.70
- 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° | 189.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -398.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.59 | kJ/mol | Joback Calculated Property |
| log10WS | -8.49 | Crippen Calculated Property | |
| logPoct/wat | 8.342 | Crippen Calculated Property | |
| McVol | 339.450 | ml/mol | McGowan Calculated Property |
| Pc | 981.46 | kPa | Joback Calculated Property |
| Inp | [2687.00; 2687.00] |
|
|
| Inp | 2687.00 | NIST | |
| Inp | 2687.00 | NIST | |
| Tboil | 817.00 | K | Joback Calculated Property |
| Tc | 1007.88 | K | Joback Calculated Property |
| Tfus | 380.23 | K | Joback Calculated Property |
| Vc | 1.313 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1054.71; 1160.05] | J/mol×K | [817.00; 1007.88] |
|
| Cp,gas | 1054.71 | J/mol×K | 817.00 | Joback Calculated Property |
| Cp,gas | 1075.06 | J/mol×K | 848.81 | Joback Calculated Property |
| Cp,gas | 1094.25 | J/mol×K | 880.63 | Joback Calculated Property |
| Cp,gas | 1112.30 | J/mol×K | 912.44 | Joback Calculated Property |
| Cp,gas | 1129.27 | J/mol×K | 944.25 | Joback Calculated Property |
| Cp,gas | 1145.17 | J/mol×K | 976.07 | Joback Calculated Property |
| Cp,gas | 1160.05 | J/mol×K | 1007.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nonadecane, 1,2-bis(methylthio).
Sources
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