- InChI
- InChI=1S/C6H14O2S/c7-3-1-5-9-6-2-4-8/h7-8H,1-6H2
- InChI Key
- QRQVZZMTKYXEKC-UHFFFAOYSA-N
- Formula
- C6H14O2S
- SMILES
- OCCCSCCCO
- Molecular Weight1
- 150.24
- Other Names
-
- 1-Propanol, 3,3'-thiobis-
- Thiodipropanol
- 3,3'-thiodipropan-1-ol
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 | -419.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.484 | Crippen Calculated Property | |
| McVol | 123.490 | ml/mol | McGowan Calculated Property |
| Pc | 3940.66 | kPa | Joback Calculated Property |
| Tboil | 574.71 | K | Relay (1.0) Calculated Property |
| Tc | 808.60 | K | Relay (1.0) Calculated Property |
| Tfus | 288.23 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [301.13; 348.04] | J/mol×K | [589.82; 762.90] | 
|
| Cp,gas | 301.13 | J/mol×K | 589.82 | Joback Calculated Property |
| Cp,gas | 309.86 | J/mol×K | 618.67 | Joback Calculated Property |
| Cp,gas | 318.22 | J/mol×K | 647.51 | Joback Calculated Property |
| Cp,gas | 326.21 | J/mol×K | 676.36 | Joback Calculated Property |
| Cp,gas | 333.84 | J/mol×K | 705.21 | Joback Calculated Property |
| Cp,gas | 341.11 | J/mol×K | 734.06 | Joback Calculated Property |
| Cp,gas | 348.04 | J/mol×K | 762.90 | Joback Calculated Property |
Similar Compounds
![1-Propanol, 3-[(2-hydroxyethyl)thio]-.](data:image/png;base64,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)
![Ethanol, 2,2'-[1,4-butanediylbis(thio)]bis-.](data:image/png;base64,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)
Find more compounds similar to 1-PROPANOL, 3,3'-THIOBIS-.
Sources
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