- InChI
- InChI=1S/C6H14OS/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
- InChI Key
- UGZAJZLUKVKCBM-UHFFFAOYSA-N
- Formula
- C6H14OS
- SMILES
- OCCCCCCS
- Molecular Weight1
- 134.24
- CAS
- 1633-78-9
- Other Names
-
- 6-Mercaptohexanol
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7001 | Relay (... Calculated Property | |
| ΔfG° | -107.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.48 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 19.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.10 | kJ/mol | Relay (... Calculated Property |
| IE | 9.21 | eV | Relay (... Calculated Property |
| log10WS | -1.39 | Relay (... Calculated Property | |
| logPoct/wat | 1.469 | Crippen Calculated Property | |
| McVol | 117.620 | ml/mol | McGowan Calculated Property |
| Pc | 3727.11 | kPa | Joback Calculated Property |
| Inp | [1176.00; 1176.00] |
|
|
| Inp | 1176.00 | NIST | |
| Inp | 1176.00 | NIST | |
| I | [2084.00; 2100.00] |
|
|
| I | 2100.00 | NIST | |
| I | 2084.00 | NIST | |
| I | 2100.00 | NIST | |
| Tboil | 509.84 | K | Relay (... Calculated Property |
| Tc | 741.93 | K | Relay (... Calculated Property |
| Tfus | 279.66 | K | Relay (... Calculated Property |
| Vc | 0.424 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [252.96; 306.88] | J/mol×K | [491.72; 672.12] |
|
| Cp,gas | 252.96 | J/mol×K | 491.72 | Joback Calculated Property |
| Cp,gas | 262.98 | J/mol×K | 521.79 | Joback Calculated Property |
| Cp,gas | 272.57 | J/mol×K | 551.85 | Joback Calculated Property |
| Cp,gas | 281.74 | J/mol×K | 581.92 | Joback Calculated Property |
| Cp,gas | 290.51 | J/mol×K | 611.98 | Joback Calculated Property |
| Cp,gas | 298.89 | J/mol×K | 642.05 | Joback Calculated Property |
| Cp,gas | 306.88 | J/mol×K | 672.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexanol, 6-mercapto-.
Sources
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