- InChI
- InChI=1S/C14H12Cl2O5S/c1-19-12-8-7-11(16)13(20-2)14(12)21-22(17,18)10-5-3-9(15)4-6-10/h3-8H,1-2H3
- InChI Key
- LSDAGINLGIKFAD-UHFFFAOYSA-N
- Formula
- C14H12Cl2O5S
- SMILES
-
COc1ccc(Cl)c(OC)c1OS(=O)(=O)c1
ccc(Cl)cc1 - Molecular Weight1
- 363.21
- CAS
- 18092-96-1
- 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 | 0.8097 | Relay (1.0) Calculated Property | |
| ΔfG° | -554.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -613.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.778 | Crippen Calculated Property | |
| McVol | 230.780 | ml/mol | McGowan Calculated Property |
| Pc | 2684.64 | kPa | Joback Calculated Property |
| Tboil | 656.86 | K | Relay (1.0) Calculated Property |
| Tc | 954.64 | K | Relay (1.0) Calculated Property |
| Tfus | 395.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.817 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [581.84; 635.23] | J/mol×K | [782.90; 1011.77] | 
|
| Cp,gas | 581.84 | J/mol×K | 782.90 | Joback Calculated Property |
| Cp,gas | 593.96 | J/mol×K | 821.05 | Joback Calculated Property |
| Cp,gas | 604.84 | J/mol×K | 859.19 | Joback Calculated Property |
| Cp,gas | 614.44 | J/mol×K | 897.34 | Joback Calculated Property |
| Cp,gas | 622.73 | J/mol×K | 935.48 | Joback Calculated Property |
| Cp,gas | 629.67 | J/mol×K | 973.63 | Joback Calculated Property |
| Cp,gas | 635.23 | J/mol×K | 1011.77 | Joback Calculated Property |
Similar Compounds
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Sources
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