![Benzoic acid, 4-[(4-chlorophenyl)sulfonyl]-](/cid/10-175-6/Benzoic-acid-4-4-chlorophenyl-sulfonyl.png "Benzoic acid, 4-[(4-chlorophenyl)sulfonyl]-")
- InChI
- InChI=1S/C13H9ClO4S/c14-10-3-7-12(8-4-10)19(17,18)11-5-1-9(2-6-11)13(15)16/h1-8H,(H,15,16)
- InChI Key
- MIVYLPYNSKNBPW-UHFFFAOYSA-N
- Formula
- C13H9ClO4S
- SMILES
-
O=C(O)c1ccc(S(=O)(=O)c2ccc(Cl)
cc2)cc1 - Molecular Weight1
- 296.73
- CAS
- 37940-65-1
- Other Names
-
- 4-Chloro-4'-carboxydiphenyl sulfone
- 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 | 0.8183 | Relay (1.0) Calculated Property | |
| ΔfG° | -560.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -499.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 143.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.871 | Crippen Calculated Property | |
| McVol | 194.280 | ml/mol | McGowan Calculated Property |
| Pc | 3777.68 | kPa | Joback Calculated Property |
| Tboil | 672.66 | K | Relay (1.0) Calculated Property |
| Tc | 976.62 | K | Relay (1.0) Calculated Property |
| Tfus | 518.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.672 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [244.89; 535.16] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.59000e+00 | |||
| Coefficient B | 1.05319e+00 | |||
| Coefficient C | -6.39120e-04 | |||
| Coefficient D | 1.18500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 244.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 300.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 349.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 391.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 428.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 459.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 485.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 506.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 522.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 535.16 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-[(4-chlorophenyl)sulfonyl]-.
Sources
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