- InChI
- InChI=1S/C16H6O8S/c17-13-9-3-1-7(5-11(9)15(19)23-13)25(21,22)8-2-4-10-12(6-8)16(20)24-14(10)18/h1-6H
- InChI Key
- ZHBXLZQQVCDGPA-UHFFFAOYSA-N
- Formula
- C16H6O8S
- SMILES
-
O=C1OC(=O)c2cc(S(=O)(=O)c3ccc4
c(c3)C(=O)OC4=O)ccc21 - Molecular Weight1
- 358.28
- CAS
- 2540-99-0
- Other Names
-
- Bis-(3-phthalyl anhydride) sulfone
- 4,4'-Diphthalic anhydride sulfone
- 3,3',4,4'-Diphenyl sulfone tetracarboxylic anhydride
- 1,3-Isobenzofurandione, 5,5'-sulfonylbis-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1024.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.39 | kJ/mol | Joback Calculated Property |
| IE | 10.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.141 | Crippen Calculated Property | |
| McVol | 213.170 | ml/mol | McGowan Calculated Property |
| Pc | 3497.14 | kPa | Joback Calculated Property |
| S°solid,1 bar | 360.70 | J/mol×K | NIST |
| Tboil | 746.25 | K | Relay (1.0) Calculated Property |
| Tc | 1112.30 | K | Relay (1.0) Calculated Property |
| Tfus | 476.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.817 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 360.00 | J/mol×K | 300.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [300.17; 618.32] | 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 | 4.27700e+01 | |||
| Coefficient B | 1.10859e+00 | |||
| Coefficient C | -6.34840e-04 | |||
| Coefficient D | 1.01800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 300.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 360.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 412.99 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 459.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 499.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 533.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 562.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 585.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 604.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 618.32 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 4,4'-Sulfonyldiphthalic dianhydride.
Sources
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.