![P-toluenesulfonamide, n-[2-(n-ethyl-p-toluenesulfonamido)ethyl]-n-(2-hydroxyethyl)-](/cid/122-403-8/P-toluenesulfonamide-n-2-n-ethyl-p-toluenesulfonamido-ethyl-n-2-hydroxyethyl.png "P-toluenesulfonamide, n-[2-(n-ethyl-p-toluenesulfonamido)ethyl]-n-(2-hydroxyethyl)-")
- InChI
- InChI=1S/C20H28N2O5S2/c1-4-21(28(24,25)19-9-5-17(2)6-10-19)13-14-22(15-16-23)29(26,27)20-11-7-18(3)8-12-20/h5-12,23H,4,13-16H2,1-3H3
- InChI Key
- RXAPEZPIYSXMDK-UHFFFAOYSA-N
- Formula
- C20H28N2O5S2
- SMILES
-
CCN(CCN(CCO)S(=O)(=O)c1ccc(C)c
c1)S(=O)(=O)c1ccc(C)cc1 - Molecular Weight1
- 440.58
- CAS
- 23563-47-5
- 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 | 1.0495 | Relay (1.0) Calculated Property | |
| ΔfG° | -529.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -670.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 142.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.997 | Crippen Calculated Property | |
| McVol | 327.150 | ml/mol | McGowan Calculated Property |
| Pc | 2250.40 | kPa | Joback Calculated Property |
| Tboil | 785.38 | K | Relay (1.0) Calculated Property |
| Tc | 1033.56 | K | Relay (1.0) Calculated Property |
| Tfus | 374.03 | K | Relay (1.0) Calculated Property |
| Vc | 1.156 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1018.47; 1073.47] | J/mol×K | [932.94; 1143.80] | 
|
| Cp,gas | 1018.47 | J/mol×K | 932.94 | Joback Calculated Property |
| Cp,gas | 1031.03 | J/mol×K | 968.08 | Joback Calculated Property |
| Cp,gas | 1042.17 | J/mol×K | 1003.23 | Joback Calculated Property |
| Cp,gas | 1051.94 | J/mol×K | 1038.37 | Joback Calculated Property |
| Cp,gas | 1060.37 | J/mol×K | 1073.51 | Joback Calculated Property |
| Cp,gas | 1067.54 | J/mol×K | 1108.66 | Joback Calculated Property |
| Cp,gas | 1073.47 | J/mol×K | 1143.80 | Joback Calculated Property |
Similar Compounds
Sources
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