- InChI
- InChI=1S/C12H7Cl3O3S/c13-8-1-4-10(5-2-8)19(16,17)18-9-3-6-11(14)12(15)7-9/h1-7H
- InChI Key
- OZDJFELGKCBAJR-UHFFFAOYSA-N
- Formula
- C12H7Cl3O3S
- SMILES
-
O=S(=O)(Oc1ccc(Cl)c(Cl)c1)c1cc
c(Cl)cc1 - Molecular Weight1
- 337.61
- CAS
- 13631-45-3
- 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 | 0.6855 | Relay (1.0) Calculated Property | |
| ΔfG° | -363.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -387.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.415 | Crippen Calculated Property | |
| McVol | 203.100 | ml/mol | McGowan Calculated Property |
| Pc | 3356.75 | kPa | Joback Calculated Property |
| Tboil | 645.83 | K | Relay (1.0) Calculated Property |
| Tc | 955.76 | K | Relay (1.0) Calculated Property |
| Tfus | 363.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.711 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.56; 501.59] | J/mol×K | [724.75; 970.62] | 
|
| Cp,gas | 452.56 | J/mol×K | 724.75 | Joback Calculated Property |
| Cp,gas | 463.53 | J/mol×K | 765.73 | Joback Calculated Property |
| Cp,gas | 473.38 | J/mol×K | 806.71 | Joback Calculated Property |
| Cp,gas | 482.10 | J/mol×K | 847.69 | Joback Calculated Property |
| Cp,gas | 489.70 | J/mol×K | 888.66 | Joback Calculated Property |
| Cp,gas | 496.20 | J/mol×K | 929.64 | Joback Calculated Property |
| Cp,gas | 501.59 | J/mol×K | 970.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dichlorophenyl-4-chlorobenzene sulfonate.
Sources
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