- InChI
- InChI=1S/C8H9ClO4S/c1-12-6-3-4-7(13-2)8(5-6)14(9,10)11/h3-5H,1-2H3
- InChI Key
- SHELADVIRCCTFN-UHFFFAOYSA-N
- Formula
- C8H9ClO4S
- SMILES
- COc1ccc(OC)c(S(=O)(=O)Cl)c1
- Molecular Weight1
- 236.67
- CAS
- 1483-28-9
- 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 | 0.6252 | Relay (1.0) Calculated Property | |
| ΔfG° | -580.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -546.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.631 | Crippen Calculated Property | |
| McVol | 151.890 | ml/mol | McGowan Calculated Property |
| Pc | 3901.37 | kPa | Joback Calculated Property |
| Tboil | 585.22 | K | Relay (1.0) Calculated Property |
| Tc | 818.28 | K | Relay (1.0) Calculated Property |
| Tfus | 355.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.540 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [321.29; 381.89] | J/mol×K | [549.13; 756.92] | 
|
| Cp,gas | 321.29 | J/mol×K | 549.13 | Joback Calculated Property |
| Cp,gas | 332.81 | J/mol×K | 583.76 | Joback Calculated Property |
| Cp,gas | 343.81 | J/mol×K | 618.39 | Joback Calculated Property |
| Cp,gas | 354.24 | J/mol×K | 653.02 | Joback Calculated Property |
| Cp,gas | 364.08 | J/mol×K | 687.66 | Joback Calculated Property |
| Cp,gas | 373.30 | J/mol×K | 722.29 | Joback Calculated Property |
| Cp,gas | 381.89 | J/mol×K | 756.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Dimethoxybenzenesulfonyl chloride.
Sources
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