- InChI
- InChI=1S/C8H18S/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
- InChI Key
- BZXFEMZFRLXGCY-UHFFFAOYSA-N
- Formula
- C8H18S
- SMILES
- CCCCCCC(C)S
- Molecular Weight1
- 146.29
- CAS
- 3001-66-9
- Other Names
-
- 2-Octylthiol
- octane-2-thiol
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- I : 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° | 43.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -175.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.75 | kJ/mol | Joback Calculated Property |
| log10WS | -3.36 | Crippen Calculated Property | |
| logPoct/wat | 3.275 | Crippen Calculated Property | |
| McVol | 139.930 | ml/mol | McGowan Calculated Property |
| Pc | 2729.71 | kPa | Joback Calculated Property |
| Inp | [1082.00; 1082.00] |
|
|
| Inp | 1082.00 | NIST | |
| Inp | 1082.00 | NIST | |
| Inp | 1082.00 | NIST | |
| I | 1298.00 | NIST | |
| Tboil | 444.86 | K | Joback Calculated Property |
| Tc | 634.61 | K | Joback Calculated Property |
| Tfus | 194.20 ± 0.30 | K | NIST |
| Vc | 0.531 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [284.76; 361.41] | J/mol×K | [444.86; 634.61] |
|
| Cp,gas | 284.76 | J/mol×K | 444.86 | Joback Calculated Property |
| Cp,gas | 299.03 | J/mol×K | 476.48 | Joback Calculated Property |
| Cp,gas | 312.67 | J/mol×K | 508.11 | Joback Calculated Property |
| Cp,gas | 325.72 | J/mol×K | 539.73 | Joback Calculated Property |
| Cp,gas | 338.18 | J/mol×K | 571.36 | Joback Calculated Property |
| Cp,gas | 350.07 | J/mol×K | 602.98 | Joback Calculated Property |
| Cp,gas | 361.41 | J/mol×K | 634.61 | Joback Calculated Property |
| ΔvapH | 49.00 | kJ/mol | 418.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Octanethiol.
Sources
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