- InChI
- InChI=1S/C7H16OS/c8-6-4-2-1-3-5-7-9/h8-9H,1-7H2
- InChI Key
- LSLIREXBGQDXDX-UHFFFAOYSA-N
- Formula
- C7H16OS
- SMILES
- OCCCCCCCS
- Molecular Weight1
- 148.27
- 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.
- 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° | -99.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -301.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.59 | kJ/mol | Joback Calculated Property |
| log10WS | -2.09 | Crippen Calculated Property | |
| logPoct/wat | 1.859 | Crippen Calculated Property | |
| McVol | 131.710 | ml/mol | McGowan Calculated Property |
| Pc | 3325.84 | kPa | Joback Calculated Property |
| Inp | [1285.00; 1285.00] |
|
|
| Inp | 1285.00 | NIST | |
| Inp | 1285.00 | NIST | |
| I | 2083.00 | NIST | |
| Tboil | 514.60 | K | Joback Calculated Property |
| Tc | 693.27 | K | Joback Calculated Property |
| Tfus | 265.93 | K | Joback Calculated Property |
| Vc | 0.500 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [295.82; 355.06] | J/mol×K | [514.60; 693.27] |
|
| Cp,gas | 295.82 | J/mol×K | 514.60 | Joback Calculated Property |
| Cp,gas | 306.83 | J/mol×K | 544.38 | Joback Calculated Property |
| Cp,gas | 317.37 | J/mol×K | 574.16 | Joback Calculated Property |
| Cp,gas | 327.45 | J/mol×K | 603.94 | Joback Calculated Property |
| Cp,gas | 337.08 | J/mol×K | 633.71 | Joback Calculated Property |
| Cp,gas | 346.28 | J/mol×K | 663.49 | Joback Calculated Property |
| Cp,gas | 355.06 | J/mol×K | 693.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7-Mercaptoheptanol.
Sources
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