- InChI
- InChI=1S/C9H11ClO3S/c1-8-2-4-9(5-3-8)14-13(11)12-7-6-10/h2-5H,6-7H2,1H3
- InChI Key
- RCNFQZWAVUXIDT-UHFFFAOYSA-N
- Formula
- C9H11ClO3S
- SMILES
- Cc1ccc(S[O+]([O-])OCCCl)cc1
- Molecular Weight1
- 234.70
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4644 | Relay (1.0) Calculated Property | |
| ΔfG° | 46.23 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -176.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 75.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.000 | Crippen Calculated Property | |
| McVol | 160.110 | ml/mol | McGowan Calculated Property |
| Pc | 2564.62 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 564.99 | K | Relay (1.0) Calculated Property |
| Tc | 758.13 | K | Relay (1.0) Calculated Property |
| Tfus | 295.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.551 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloroethyl p-toluene sulfonate.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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