- InChI
- InChI=1S/C22H24N2O4S2/c1-3-23(4-2)19-15-17-20(18-16-19)24(29(25,26)21-11-7-5-8-12-21)30(27,28)22-13-9-6-10-14-22/h5-18H,3-4H2,1-2H3
- InChI Key
- JUVRAEFALBENDT-UHFFFAOYSA-N
- Formula
- C22H24N2O4S2
- SMILES
-
CCN(CC)c1ccc(N(S(=O)(=O)c2cccc
c2)S(=O)(=O)c2ccccc2)cc1 - Molecular Weight1
- 444.57
- CAS
- 19770-87-7
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -253.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -570.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.41 | kJ/mol | Joback Calculated Property |
| log10WS | -5.12 | Crippen Calculated Property | |
| logPoct/wat | 4.117 | Crippen Calculated Property | |
| McVol | 325.700 | ml/mol | McGowan Calculated Property |
| Pc | 2388.85 | kPa | Joback Calculated Property |
| Tboil | 908.22 | K | Joback Calculated Property |
| Tc | 1135.30 | K | Joback Calculated Property |
| Tfus | 571.54 | K | Joback Calculated Property |
| Vc | 1.232 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [980.02; 1038.45] | J/mol×K | [908.22; 1135.30] | 
|
| Cp,gas | 980.02 | J/mol×K | 908.22 | Joback Calculated Property |
| Cp,gas | 993.66 | J/mol×K | 946.07 | Joback Calculated Property |
| Cp,gas | 1005.63 | J/mol×K | 983.91 | Joback Calculated Property |
| Cp,gas | 1016.01 | J/mol×K | 1021.76 | Joback Calculated Property |
| Cp,gas | 1024.89 | J/mol×K | 1059.60 | Joback Calculated Property |
| Cp,gas | 1032.34 | J/mol×K | 1097.45 | Joback Calculated Property |
| Cp,gas | 1038.45 | J/mol×K | 1135.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-phenylenediamine, n,n-diethyl-n',n'-bis(phenylsulfonyl)-.
Sources
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