- InChI
- InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
- InChI Key
- JOXIMZWYDAKGHI-UHFFFAOYSA-N
- Formula
- C7H8O3S
- SMILES
- Cc1ccc(S(=O)(=O)O)cc1
- Molecular Weight1
- 172.20
- CAS
- 104-15-4
- Other Names
-
- 4-methylbenzenesulfonic acid
- 4-toluenesulfonic acid
- Ar-Toluenesulfonic acid
- Benzenesulfonic acid, methyl-
- Cyclophil P T S A
- Cyzac 4040
- Eltesol
- K-Cure 1040
- Kyselina p-toluenesulfonova
- Kyselina p-toluensulfonova
- Manro PTSA 65 E
- Manro PTSA 65 H
- Manro PTSA 65 LS
- Methylbenzenesulfonic acid
- NSC 167068
- Nacure 1040
- PTSA
- Toluene-4-sulfonic acid
- Toluene-p-sulfonate
- Toluenesulfonic acid
- Tosic acid
- Tosylic acid
- Tsa-hp
- Tsa-mh
- p-Methylbenzenesulfonic acid
- p-Methylphenylsulfonic acid
- p-Toluenesulfonate
- p-Toluenesulphonic acid
- p-Toluolenesulfonic acid
- p-Tolylsulfonic acid
- p-toluenesulfonic acid
- toluene-4-sulphonic acid
- 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).
- 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -494.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -568.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.43 | kJ/mol | Joback Calculated Property |
| log10WS | -1.54 | Crippen Calculated Property | |
| logPoct/wat | 1.242 | Crippen Calculated Property | |
| McVol | 119.690 | ml/mol | McGowan Calculated Property |
| Pc | 5678.82 | kPa | Joback Calculated Property |
| Tboil | 531.18 | K | Joback Calculated Property |
| Tc | 726.34 | K | Joback Calculated Property |
| Tfus | 306.97 | K | Joback Calculated Property |
| Vc | 0.465 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.31; 306.34] | J/mol×K | [531.18; 726.34] | 
|
| Cp,gas | 255.31 | J/mol×K | 531.18 | Joback Calculated Property |
| Cp,gas | 265.14 | J/mol×K | 563.71 | Joback Calculated Property |
| Cp,gas | 274.44 | J/mol×K | 596.23 | Joback Calculated Property |
| Cp,gas | 283.20 | J/mol×K | 628.76 | Joback Calculated Property |
| Cp,gas | 291.44 | J/mol×K | 661.29 | Joback Calculated Property |
| Cp,gas | 299.15 | J/mol×K | 693.81 | Joback Calculated Property |
| Cp,gas | 306.34 | J/mol×K | 726.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenesulfonic acid, 4-methyl-.
Mixtures
- Carbon dioxide + Benzenesulfonic acid, 4-methyl-
- Carbon dioxide + Ethanol + Benzenesulfonic acid, 4-methyl-
- Carbon dioxide + Benzenesulfonic acid, 4-methyl- + Ethyl Acetate
- Carbon dioxide + Benzenesulfonic acid, 4-methyl- + Acetone
Sources
- Crippen Method
- Crippen Method
- Effect of Hydrogen Bond Donor on the Physical Properties of Benzyltriethylammonium Chloride Based Deep Eutectic Solvents and Their Usage in 2-Ethyl-Hexyl Acetate Synthesis as a Catalyst
- Solubility Increment and Thermodynamic Analysis of Bioactive Antofloxacin Hydrochloride in Aqueous ChCl/PTS Deep Eutectic Solvent and Cosolvent Mixtures
- Solubility of p-Methylbenzene Sulfonic Acid in Pure and Modified Supercritical Carbon Dioxide
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.