- InChI
- InChI=1S/C11H16O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
- InChI Key
- QYJXDIUNDMRLAO-UHFFFAOYSA-N
- Formula
- C11H16O3S
- SMILES
- CCCCOS(=O)(=O)c1ccc(C)cc1
- Molecular Weight1
- 228.31
- CAS
- 778-28-9
- Other Names
-
- p-Toluenesulfonic acid, butyl ester
- Butyl p-methylbenzenesulfonate
- Butyl p-toluenesulfonate
- Butyl tosylate
- Butyl para-toluenesulfonate
- n-Butyl p-toluenesulfonate
- Butyl ester of 4-toluenesulfonic acid
- Butyl 4-methylbenzenesulfonate
- NSC 6190
- butyl 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° | -429.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -630.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.06 | kJ/mol | Joback Calculated Property |
| log10WS | -2.97 | Crippen Calculated Property | |
| logPoct/wat | 2.500 | Crippen Calculated Property | |
| McVol | 176.050 | ml/mol | McGowan Calculated Property |
| Pc | 3018.96 | kPa | Joback Calculated Property |
| Tboil | 552.94 | K | Joback Calculated Property |
| Tc | 748.21 | K | Joback Calculated Property |
| Tfus | 313.46 | K | Joback Calculated Property |
| Vc | 0.688 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [408.73; 489.29] | J/mol×K | [552.94; 748.21] | 
|
| Cp,gas | 408.73 | J/mol×K | 552.94 | Joback Calculated Property |
| Cp,gas | 424.05 | J/mol×K | 585.48 | Joback Calculated Property |
| Cp,gas | 438.61 | J/mol×K | 618.03 | Joback Calculated Property |
| Cp,gas | 452.42 | J/mol×K | 650.57 | Joback Calculated Property |
| Cp,gas | 465.46 | J/mol×K | 683.12 | Joback Calculated Property |
| Cp,gas | 477.75 | J/mol×K | 715.66 | Joback Calculated Property |
| Cp,gas | 489.29 | J/mol×K | 748.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenesulfonic acid, 4-methyl-, butyl ester.
Sources
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