- InChI
- InChI=1S/C13H11ClO3S/c1-10-2-8-13(9-3-10)18(15,16)17-12-6-4-11(14)5-7-12/h2-9H,1H3
- InChI Key
- PPRVVAPBLOBOSE-UHFFFAOYSA-N
- Formula
- C13H11ClO3S
- SMILES
-
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2)
cc1 - Molecular Weight1
- 282.74
- CAS
- 599-89-3
- ω : Acentric Factor.
- 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).
- 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 | 0.6497 | Relay (1.0) Calculated Property | |
| ΔfG° | -321.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -367.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.416 | Crippen Calculated Property | |
| McVol | 192.710 | ml/mol | McGowan Calculated Property |
| Pc | 3329.68 | kPa | Joback Calculated Property |
| Tboil | 636.97 | K | Relay (1.0) Calculated Property |
| Tc | 908.97 | K | Relay (1.0) Calculated Property |
| Tfus | 356.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.683 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [458.18; 526.42] | J/mol×K | [667.79; 902.87] | 
|
| Cp,gas | 458.18 | J/mol×K | 667.79 | Joback Calculated Property |
| Cp,gas | 472.43 | J/mol×K | 706.97 | Joback Calculated Property |
| Cp,gas | 485.51 | J/mol×K | 746.15 | Joback Calculated Property |
| Cp,gas | 497.43 | J/mol×K | 785.33 | Joback Calculated Property |
| Cp,gas | 508.22 | J/mol×K | 824.51 | Joback Calculated Property |
| Cp,gas | 517.88 | J/mol×K | 863.69 | Joback Calculated Property |
| Cp,gas | 526.42 | J/mol×K | 902.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-chlorophenyl-p-toluenesulfonate.
Sources
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