- InChI
- InChI=1S/C9H11ClO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3
- InChI Key
- ZXNMIUJDTOMBPV-UHFFFAOYSA-N
- Formula
- C9H11ClO3S
- SMILES
- Cc1ccc(S(=O)(=O)OCCCl)cc1
- Molecular Weight1
- 234.70
- CAS
- 80-41-1
- Other Names
-
- Ethanol, 2-chloro-, p-toluenesulfonate
- «beta»-Chloroethyl p-toluenesulfonate
- p-Toluenesulfonic acid, 2-chloroethyl ester
- 2-(p-Toluenesulfonyloxy)ethyl chloride
- 2-Chloroethanol p-toluenesulfonate
- 2-Chloroethyl p-toluenesulfonate
- 2-Chloroethyl p-tosylate
- 2-Chloroethyl tosylate
- 2-Chloroethyl para-toluenesulfonate
- «beta»-Chloroethylester kyseliny p-toluensulfonove
- p-Toluenesulfonic acid, «beta»-chloroethyl ester
- 2-Chlorethylester kyseliny p-toluensulfonove
- 2-Tosyloxyethyl chloride
- Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate)
- NSC 6079
- 2-chloroethyl 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° | -457.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -605.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.00 | kJ/mol | Joback Calculated Property |
| log10WS | -2.29 | Crippen Calculated Property | |
| logPoct/wat | 1.939 | Crippen Calculated Property | |
| McVol | 160.110 | ml/mol | McGowan Calculated Property |
| Pc | 3607.21 | kPa | Joback Calculated Property |
| Tboil | 544.61 | K | Joback Calculated Property |
| Tc | 750.19 | K | Joback Calculated Property |
| Tfus | 320.84 | K | Joback Calculated Property |
| Vc | 0.625 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [343.44; 410.73] | J/mol×K | [544.61; 750.19] | 
|
| Cp,gas | 343.44 | J/mol×K | 544.61 | Joback Calculated Property |
| Cp,gas | 356.40 | J/mol×K | 578.87 | Joback Calculated Property |
| Cp,gas | 368.66 | J/mol×K | 613.14 | Joback Calculated Property |
| Cp,gas | 380.23 | J/mol×K | 647.40 | Joback Calculated Property |
| Cp,gas | 391.10 | J/mol×K | 681.66 | Joback Calculated Property |
| Cp,gas | 401.27 | J/mol×K | 715.93 | Joback Calculated Property |
| Cp,gas | 410.73 | J/mol×K | 750.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanol, 2-chloro-, 4-methylbenzenesulfonate.
Sources
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