- InChI
- InChI=1S/C8H18OS/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2
- InChI Key
- XJTWZETUWHTBTG-UHFFFAOYSA-N
- Formula
- C8H18OS
- SMILES
- OCCCCCCCCS
- Molecular Weight1
- 162.30
- 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 | 0.7695 | Relay (1.0) Calculated Property | |
| ΔfG° | -90.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -331.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.249 | Crippen Calculated Property | |
| McVol | 145.800 | ml/mol | McGowan Calculated Property |
| Pc | 2986.06 | kPa | Joback Calculated Property |
| Inp | [1393.00; 1393.00] |
|
|
| Inp | 1393.00 | NIST | |
| Inp | 1393.00 | NIST | |
| I | 2150.00 | NIST | |
| Tboil | 543.09 | K | Relay (1.0) Calculated Property |
| Tc | 766.77 | K | Relay (1.0) Calculated Property |
| Tfus | 299.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.537 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.48; 476.10] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.57980e+01 | |||
| Coefficient B | 8.25100e-01 | |||
| Coefficient C | -4.64200e-04 | |||
| Coefficient D | 9.94000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 208.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 254.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 294.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 331.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 363.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 392.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 417.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 439.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 459.22 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 476.10 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 8-Mercaptooctanol.
Sources
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