- InChI
- InChI=1S/C3H6S5/c1-4-2-6-8-3-7-5-1/h1-3H2
- InChI Key
- QFHGOPGLIADNQA-UHFFFAOYSA-N
- Formula
- C3H6S5
- SMILES
- C1SCSSCSS1
- Molecular Weight1
- 202.41
- CAS
- 81531-39-7
- Other Names
-
- 1,2,4,5,7-Pentathiaoctane
- 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° | 181.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 183.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.41 | kJ/mol | Joback Calculated Property |
| log10WS | -3.86 | Crippen Calculated Property | |
| logPoct/wat | 3.369 | Crippen Calculated Property | |
| McVol | 124.020 | ml/mol | McGowan Calculated Property |
| Pc | 6420.53 | kPa | Joback Calculated Property |
| Inp | 1749.00 | NIST | |
| Tboil | 539.95 | K | Joback Calculated Property |
| Tc | 870.11 | K | Joback Calculated Property |
| Tfus | 545.40 | K | Joback Calculated Property |
| Vc | 0.351 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.90; 275.35] | J/mol×K | [539.95; 870.11] | 
|
| Cp,gas | 218.90 | J/mol×K | 539.95 | Joback Calculated Property |
| Cp,gas | 231.08 | J/mol×K | 594.98 | Joback Calculated Property |
| Cp,gas | 242.09 | J/mol×K | 650.00 | Joback Calculated Property |
| Cp,gas | 251.98 | J/mol×K | 705.03 | Joback Calculated Property |
| Cp,gas | 260.78 | J/mol×K | 760.05 | Joback Calculated Property |
| Cp,gas | 268.56 | J/mol×K | 815.08 | Joback Calculated Property |
| Cp,gas | 275.35 | J/mol×K | 870.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,4,5,7-Pentathiocane.
Sources
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