- InChI
- InChI=1S/C6H12S5/c1-3-5-7-6(4-2)9-11-10-8-5/h5-6H,3-4H2,1-2H3
- InChI Key
- IVFDVOATXVTNHJ-UHFFFAOYSA-N
- Formula
- C6H12S5
- SMILES
- CCC1SSSSC(CC)S1
- Molecular Weight1
- 244.48
- Other Names
-
- 1,2,3,4,6-Pentathiepane, 5,7-diethyl
- 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° | 203.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 86.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.30 | kJ/mol | Joback Calculated Property |
| log10WS | -5.83 | Crippen Calculated Property | |
| logPoct/wat | 4.883 | Crippen Calculated Property | |
| McVol | 166.290 | ml/mol | McGowan Calculated Property |
| Pc | 3777.68 | kPa | Joback Calculated Property |
| Inp | [1786.30; 1824.00] |
|
|
| Inp | 1786.30 | NIST | |
| Inp | 1822.00 | NIST | |
| Inp | 1824.00 | NIST | |
| Inp | 1822.00 | NIST | |
| Inp | 1786.30 | NIST | |
| Tboil | 594.98 | K | Joback Calculated Property |
| Tc | 887.47 | K | Joback Calculated Property |
| Tfus | 574.25 | K | Joback Calculated Property |
| Vc | 0.525 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [356.09; 434.63] | J/mol×K | [594.98; 887.47] |
|
| Cp,gas | 356.09 | J/mol×K | 594.98 | Joback Calculated Property |
| Cp,gas | 372.23 | J/mol×K | 643.73 | Joback Calculated Property |
| Cp,gas | 387.10 | J/mol×K | 692.48 | Joback Calculated Property |
| Cp,gas | 400.74 | J/mol×K | 741.22 | Joback Calculated Property |
| Cp,gas | 413.18 | J/mol×K | 789.97 | Joback Calculated Property |
| Cp,gas | 424.46 | J/mol×K | 838.72 | Joback Calculated Property |
| Cp,gas | 434.63 | J/mol×K | 887.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5,7-Diethyl-1,2,3,4,6-pentathiepane.
Sources
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