- InChI
- InChI=1S/C7H16S2/c1-9-7-5-3-2-4-6-8/h8H,2-7H2,1H3
- InChI Key
- MCCWTNNEODFSQN-UHFFFAOYSA-N
- Formula
- C7H16S2
- SMILES
- CSCCCCCCS
- Molecular Weight1
- 164.33
- 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° | 70.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -107.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.73 | kJ/mol | Joback Calculated Property |
| log10WS | -2.71 | Crippen Calculated Property | |
| logPoct/wat | 2.840 | Crippen Calculated Property | |
| McVol | 142.190 | ml/mol | McGowan Calculated Property |
| Pc | 3055.79 | kPa | Joback Calculated Property |
| Inp | [1356.00; 1356.00] |
|
|
| Inp | 1356.00 | NIST | |
| Inp | 1356.00 | NIST | |
| Tboil | 491.20 | K | Joback Calculated Property |
| Tc | 700.51 | K | Joback Calculated Property |
| Tfus | 239.51 | K | Joback Calculated Property |
| Vc | 0.535 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [294.29; 365.50] | J/mol×K | [491.20; 700.51] |
|
| Cp,gas | 294.29 | J/mol×K | 491.20 | Joback Calculated Property |
| Cp,gas | 307.70 | J/mol×K | 526.08 | Joback Calculated Property |
| Cp,gas | 320.47 | J/mol×K | 560.97 | Joback Calculated Property |
| Cp,gas | 332.63 | J/mol×K | 595.85 | Joback Calculated Property |
| Cp,gas | 344.17 | J/mol×K | 630.74 | Joback Calculated Property |
| Cp,gas | 355.13 | J/mol×K | 665.62 | Joback Calculated Property |
| Cp,gas | 365.50 | J/mol×K | 700.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7-Thia-1-octanethiol.
Sources
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