- InChI
- InChI=1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
- InChI Key
- VRZVPALEJCLXPR-UHFFFAOYSA-N
- Formula
- C9H12O3S
- SMILES
- CCOS(=O)(=O)c1ccc(C)cc1
- Molecular Weight1
- 200.25
- CAS
- 80-40-0
- Other Names
-
- p-Toluenesulfonic acid, ethyl ester
- Ethyl p-methylbenzenesulfonate
- Ethyl p-toluenesulfonate
- Ethyl p-tosylate
- Ethyl tosylate
- Ethyl para-toluenesulfonate
- Ethyl 4-toluenesulfonate
- Ethyl toluene-4-sulfonate
- p-Toluolsulfonsaeure aethyl ester
- Ethyl p-TS
- Ethylester kyseliny p-toluensulfonove
- Ethyl ester of p-Toluenesulfonic acid
- 4-Methylbenzenesulfonic acid ethyl ester
- Mittel AEP
- NSC 8887
- Toluene-4-sulfonic acid ethyl ester
- ethyl 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° | -445.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -589.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.61 | kJ/mol | Joback Calculated Property |
| log10WS | -2.14 | Crippen Calculated Property | |
| logPoct/wat | 1.720 | Crippen Calculated Property | |
| McVol | 147.870 | ml/mol | McGowan Calculated Property |
| Pc | 3773.04 | kPa | Joback Calculated Property |
| Tboil | 507.18 | K | Joback Calculated Property |
| Tc | 707.85 | K | Joback Calculated Property |
| Tfus | [304.00; 307.00] | K |
|
| Tfus | 304.00 ± 4.00 | K | NIST |
| Tfus | 307.00 ± 2.00 | K | NIST |
| Vc | 0.576 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [316.24; 388.27] | J/mol×K | [507.18; 707.85] |
|
| Cp,gas | 316.24 | J/mol×K | 507.18 | Joback Calculated Property |
| Cp,gas | 329.87 | J/mol×K | 540.63 | Joback Calculated Property |
| Cp,gas | 342.86 | J/mol×K | 574.07 | Joback Calculated Property |
| Cp,gas | 355.20 | J/mol×K | 607.52 | Joback Calculated Property |
| Cp,gas | 366.89 | J/mol×K | 640.96 | Joback Calculated Property |
| Cp,gas | 377.91 | J/mol×K | 674.41 | Joback Calculated Property |
| Cp,gas | 388.27 | J/mol×K | 707.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenesulfonic acid, 4-methyl-, ethyl ester.
Sources
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