- InChI
- InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3
- InChI Key
- VUQUOGPMUUJORT-UHFFFAOYSA-N
- Formula
- C8H10O3S
- SMILES
- COS(=O)(=O)c1ccc(C)cc1
- Molecular Weight1
- 186.23
- CAS
- 80-48-8
- Other Names
-
- p-Toluenesulfonic acid, methyl ester
- p-Methylbenzenesulfonate methyl ester
- Methyl p-toluenesulfonate
- Methyl p-tosylate
- Methyl toluene-4-sulfonate
- Methyl tosylate
- Methyl para-toluenesulfonate
- Methyl-(4)-toluenesulfonate
- p-Toluolsulfonsaeure methyl ester
- Methyl toluenesulfonate
- Methyl 4-methylbenzenesulfonate
- Methylester kyseliny p-toluensulfonove
- Methyl p-methylbenzenesulfonate
- Methyl ester of 4-methylbenzenesulfonic acid
- NSC 406335
- methyl toluene-4-sulphonate
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -454.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -568.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.39 | kJ/mol | Joback Calculated Property |
| log10WS | -1.72 | Crippen Calculated Property | |
| logPoct/wat | 1.330 | Crippen Calculated Property | |
| McVol | 133.780 | ml/mol | McGowan Calculated Property |
| Pc | 4260.71 | kPa | Joback Calculated Property |
| Tboil | 565.00 ± 4.00 | K | NIST |
| Tc | 687.75 | K | Joback Calculated Property |
| Tfus | 279.65 | K | Joback Calculated Property |
| Vc | 0.519 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.85; 339.56] | J/mol×K | [484.30; 687.75] | 
|
| Cp,gas | 272.85 | J/mol×K | 484.30 | Joback Calculated Property |
| Cp,gas | 285.44 | J/mol×K | 518.21 | Joback Calculated Property |
| Cp,gas | 297.45 | J/mol×K | 552.12 | Joback Calculated Property |
| Cp,gas | 308.87 | J/mol×K | 586.03 | Joback Calculated Property |
| Cp,gas | 319.70 | J/mol×K | 619.93 | Joback Calculated Property |
| Cp,gas | 329.94 | J/mol×K | 653.84 | Joback Calculated Property |
| Cp,gas | 339.56 | J/mol×K | 687.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenesulfonic acid, 4-methyl-, methyl ester.
Sources
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