- InChI
- InChI=1S/C7H8OS/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2
- InChI Key
- FYWFCRHZXORPFH-UHFFFAOYSA-N
- Formula
- C7H8OS
- SMILES
- OCc1ccccc1S
- Molecular Weight1
- 140.20
- CAS
- 4521-31-7
- 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).
- 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 | 0.5777 | Relay (1.0) Calculated Property | |
| ΔfG° | 3.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -85.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.468 | Crippen Calculated Property | |
| McVol | 107.950 | ml/mol | McGowan Calculated Property |
| Pc | 4973.33 | kPa | Joback Calculated Property |
| Tboil | 536.70 | K | Relay (1.0) Calculated Property |
| Tc | 798.66 | K | Relay (1.0) Calculated Property |
| Tfus | 335.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.353 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [223.09; 270.88] | J/mol×K | [546.26; 768.10] | 
|
| Cp,gas | 223.09 | J/mol×K | 546.26 | Joback Calculated Property |
| Cp,gas | 232.47 | J/mol×K | 583.23 | Joback Calculated Property |
| Cp,gas | 241.25 | J/mol×K | 620.21 | Joback Calculated Property |
| Cp,gas | 249.45 | J/mol×K | 657.18 | Joback Calculated Property |
| Cp,gas | 257.11 | J/mol×K | 694.15 | Joback Calculated Property |
| Cp,gas | 264.24 | J/mol×K | 731.13 | Joback Calculated Property |
| Cp,gas | 270.88 | J/mol×K | 768.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Mercaptobenzyl alcohol.
Sources
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