- InChI
- InChI=1S/C8H10O3S/c1-2-11-12(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
- InChI Key
- XDRMBCMMABGNMM-UHFFFAOYSA-N
- Formula
- C8H10O3S
- SMILES
- CCOS(=O)(=O)c1ccccc1
- Molecular Weight1
- 186.23
- CAS
- 515-46-8
- Other Names
-
- Benzenesulfonic acid ethyl ester
- Ethyl benzensulfonate
- ethyl benzenesulphonate
- 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).
- 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° | -444.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -557.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.72 | kJ/mol | Joback Calculated Property |
| log10WS | -2.13 | Aq. Sol... | |
| logPoct/wat | 1.412 | Crippen Calculated Property | |
| McVol | 133.780 | ml/mol | McGowan Calculated Property |
| Pc | 4345.39 | kPa | Joback Calculated Property |
| Tboil | 479.32 | K | Joback Calculated Property |
| Tc | 681.53 | K | Joback Calculated Property |
| Tfus | 267.13 | K | Joback Calculated Property |
| Vc | 0.519 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.51; 340.82] | J/mol×K | [479.32; 681.53] | 
|
| Cp,gas | 272.51 | J/mol×K | 479.32 | Joback Calculated Property |
| Cp,gas | 285.48 | J/mol×K | 513.02 | Joback Calculated Property |
| Cp,gas | 297.83 | J/mol×K | 546.72 | Joback Calculated Property |
| Cp,gas | 309.53 | J/mol×K | 580.42 | Joback Calculated Property |
| Cp,gas | 320.60 | J/mol×K | 614.12 | Joback Calculated Property |
| Cp,gas | 331.03 | J/mol×K | 647.82 | Joback Calculated Property |
| Cp,gas | 340.82 | J/mol×K | 681.53 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 429.00 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Ethyl benzenesulfonate.
Sources
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