- InChI
- InChI=1S/C7H8OS/c1-8-6-2-4-7(9)5-3-6/h2-5,9H,1H3
- InChI Key
- NIFAOMSJMGEFTQ-UHFFFAOYSA-N
- Formula
- C7H8OS
- SMILES
- COc1ccc(S)cc1
- Molecular Weight1
- 140.20
- CAS
- 696-63-9
- Other Names
-
- para-Methoxybenzenethiol
- 4-Methoxythiophenol
- p-Methoxy thiophenol
- 4-Methoxybenzenethiol
- p-Methoxybenzenethiol
- Benzenethiol, p-methoxy-
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 35.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -56.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.26 | kJ/mol | Joback Calculated Property |
| log10WS | -2.10 | Crippen Calculated Property | |
| logPoct/wat | 1.984 | Crippen Calculated Property | |
| McVol | 107.950 | ml/mol | McGowan Calculated Property |
| Pc | 4288.66 | kPa | Joback Calculated Property |
| Inp | 1249.50 | NIST | |
| Tboil | 501.20 | K | NIST |
| Tc | 714.44 | K | Joback Calculated Property |
| Tfus | 266.28 | K | Joback Calculated Property |
| Vc | 0.392 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [202.69; 260.48] | J/mol×K | [476.50; 714.44] | 
|
| Cp,gas | 202.69 | J/mol×K | 476.50 | Joback Calculated Property |
| Cp,gas | 213.83 | J/mol×K | 516.16 | Joback Calculated Property |
| Cp,gas | 224.36 | J/mol×K | 555.81 | Joback Calculated Property |
| Cp,gas | 234.28 | J/mol×K | 595.47 | Joback Calculated Property |
| Cp,gas | 243.60 | J/mol×K | 635.12 | Joback Calculated Property |
| Cp,gas | 252.33 | J/mol×K | 674.78 | Joback Calculated Property |
| Cp,gas | 260.48 | J/mol×K | 714.44 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [362.70; 374.70] | K | [0.70; 1.70] |
|
| Tboilr | 362.70 | K | 0.70 | NIST |
| Tboilr | 374.70 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to Benzenethiol, 4-methoxy-.
Sources
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