- InChI
- InChI=1S/C8H10S/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
- InChI Key
- QZZBJCFNHPYNKO-UHFFFAOYSA-N
- Formula
- C8H10S
- SMILES
- CC(S)c1ccccc1
- Molecular Weight1
- 138.23
- CAS
- 6263-65-6
- Other Names
-
- 1-Phenylethanethiol
- 1-Phenylethyl mercaptane
- 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.
- 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° | 155.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 61.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.03 | kJ/mol | Joback Calculated Property |
| log10WS | -2.81 | Crippen Calculated Property | |
| logPoct/wat | 2.677 | Crippen Calculated Property | |
| McVol | 116.170 | ml/mol | McGowan Calculated Property |
| Pc | 3990.60 | kPa | Joback Calculated Property |
| Inp | [1160.00; 1160.00] |
|
|
| Inp | 1160.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Tboil | 471.54 | K | Joback Calculated Property |
| Tc | 712.42 | K | Joback Calculated Property |
| Tfus | 227.80 | K | Joback Calculated Property |
| Vc | 0.423 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.45; 290.33] | J/mol×K | [471.54; 712.42] |
|
| Cp,gas | 221.45 | J/mol×K | 471.54 | Joback Calculated Property |
| Cp,gas | 235.14 | J/mol×K | 511.69 | Joback Calculated Property |
| Cp,gas | 247.88 | J/mol×K | 551.83 | Joback Calculated Property |
| Cp,gas | 259.73 | J/mol×K | 591.98 | Joback Calculated Property |
| Cp,gas | 270.72 | J/mol×K | 632.13 | Joback Calculated Property |
| Cp,gas | 280.91 | J/mol×K | 672.27 | Joback Calculated Property |
| Cp,gas | 290.33 | J/mol×K | 712.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenemethanethiol, «alpha»-methyl-.
Sources
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