- InChI
- InChI=1S/C24H28N2O4S2/c1-17-7-13-23(15-19(17)3)31(27,28)26(22-11-9-21(10-12-22)25(5)6)32(29,30)24-14-8-18(2)20(4)16-24/h7-16H,1-6H3
- InChI Key
- ZWXROISRYFYPME-UHFFFAOYSA-N
- Formula
- C24H28N2O4S2
- SMILES
-
Cc1ccc(S(=O)(=O)N(c2ccc(N(C)C)
cc2)S(=O)(=O)c2ccc(C)c(C)c2)cc 1C - Molecular Weight1
- 472.62
- CAS
- 19770-86-6
- 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 | 0.9685 | Relay (1.0) Calculated Property | |
| ΔfG° | -275.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -391.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.570 | Crippen Calculated Property | |
| McVol | 353.880 | ml/mol | McGowan Calculated Property |
| Pc | 1893.65 | kPa | Joback Calculated Property |
| Tboil | 766.05 | K | Relay (1.0) Calculated Property |
| Tc | 1145.06 | K | Relay (1.0) Calculated Property |
| Tfus | 456.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.251 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1092.46; 1142.72] | J/mol×K | [973.90; 1203.40] | 
|
| Cp,gas | 1092.46 | J/mol×K | 973.90 | Joback Calculated Property |
| Cp,gas | 1105.06 | J/mol×K | 1012.15 | Joback Calculated Property |
| Cp,gas | 1115.89 | J/mol×K | 1050.40 | Joback Calculated Property |
| Cp,gas | 1125.01 | J/mol×K | 1088.65 | Joback Calculated Property |
| Cp,gas | 1132.48 | J/mol×K | 1126.90 | Joback Calculated Property |
| Cp,gas | 1138.37 | J/mol×K | 1165.15 | Joback Calculated Property |
| Cp,gas | 1142.72 | J/mol×K | 1203.40 | Joback Calculated Property |
Similar Compounds
Sources
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