- InChI
- InChI=1S/C26H32N2O4S2/c1-7-27(8-2)23-11-13-24(14-12-23)28(33(29,30)25-15-9-19(3)21(5)17-25)34(31,32)26-16-10-20(4)22(6)18-26/h9-18H,7-8H2,1-6H3
- InChI Key
- KLTGOXURDPDGLK-UHFFFAOYSA-N
- Formula
- C26H32N2O4S2
- SMILES
-
CCN(CC)c1ccc(N(S(=O)(=O)c2ccc(
C)c(C)c2)S(=O)(=O)c2ccc(C)c(C) c2)cc1 - Molecular Weight1
- 500.67
- CAS
- 19770-89-9
- 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 | 1.0241 | Relay (1.0) Calculated Property | |
| ΔfG° | -258.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -474.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.351 | Crippen Calculated Property | |
| McVol | 382.060 | ml/mol | McGowan Calculated Property |
| Pc | 1612.88 | kPa | Joback Calculated Property |
| Tboil | 775.91 | K | Relay (1.0) Calculated Property |
| Tc | 1143.95 | K | Relay (1.0) Calculated Property |
| Tfus | 431.50 | K | Relay (1.0) Calculated Property |
| Vc | 1.341 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1211.35; 1258.37] | J/mol×K | [1019.66; 1252.02] | 
|
| Cp,gas | 1211.35 | J/mol×K | 1019.66 | Joback Calculated Property |
| Cp,gas | 1223.55 | J/mol×K | 1058.39 | Joback Calculated Property |
| Cp,gas | 1233.91 | J/mol×K | 1097.11 | Joback Calculated Property |
| Cp,gas | 1242.50 | J/mol×K | 1135.84 | Joback Calculated Property |
| Cp,gas | 1249.40 | J/mol×K | 1174.56 | Joback Calculated Property |
| Cp,gas | 1254.66 | J/mol×K | 1213.29 | Joback Calculated Property |
| Cp,gas | 1258.37 | J/mol×K | 1252.02 | Joback Calculated Property |
Similar Compounds
Sources
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