- InChI
- InChI=1S/C14H26OS2/c1-3-5-7-10-16-12-9-14(13-15)17-11-8-6-4-2/h9,13H,3-8,10-12H2,1-2H3/b14-9-
- InChI Key
- SSWJNUUBNWGTQY-ZROIWOOFSA-N
- Formula
- C14H26OS2
- SMILES
- CCCCCSCC=C(C=O)SCCCCC
- Molecular Weight1
- 274.49
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -268.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.33 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.916 | Crippen Calculated Property | |
| McVol | 238.090 | ml/mol | McGowan Calculated Property |
| Pc | 1740.46 | kPa | Joback Calculated Property |
| I | [2740.00; 2740.00] |
|
|
| I | 2740.00 | NIST | |
| I | 2740.00 | NIST | |
| Tboil | 604.73 | K | Relay (1.0) Calculated Property |
| Tc | 797.23 | K | Relay (1.0) Calculated Property |
| Tfus | 266.18 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [643.51; 727.59] | J/mol×K | [710.18; 913.25] |
|
| Cp,gas | 643.51 | J/mol×K | 710.18 | Joback Calculated Property |
| Cp,gas | 659.75 | J/mol×K | 744.02 | Joback Calculated Property |
| Cp,gas | 675.05 | J/mol×K | 777.87 | Joback Calculated Property |
| Cp,gas | 689.45 | J/mol×K | 811.71 | Joback Calculated Property |
| Cp,gas | 702.98 | J/mol×K | 845.56 | Joback Calculated Property |
| Cp,gas | 715.69 | J/mol×K | 879.40 | Joback Calculated Property |
| Cp,gas | 727.59 | J/mol×K | 913.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Bis(pentylthio)bute-2-nal.
Sources
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