- InChI
- InChI=1S/C16H20N2O2S/c1-3-18(4-2)15-12-10-14(11-13-15)17-21(19,20)16-8-6-5-7-9-16/h5-13,17H,3-4H2,1-2H3
- InChI Key
- WBHFUXWMLUDIIZ-UHFFFAOYSA-N
- Formula
- C16H20N2O2S
- SMILES
-
CCN(CC)c1ccc(NS(=O)(=O)c2ccccc
2)cc1 - Molecular Weight1
- 304.41
- CAS
- 19770-75-3
- 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 | 0.7640 | Relay (1.0) Calculated Property | |
| ΔfG° | 30.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -182.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.334 | Crippen Calculated Property | |
| McVol | 236.830 | ml/mol | McGowan Calculated Property |
| Pc | 2654.29 | kPa | Joback Calculated Property |
| Tboil | 668.49 | K | Relay (1.0) Calculated Property |
| Tc | 980.72 | K | Relay (1.0) Calculated Property |
| Tfus | 413.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.823 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [656.82; 736.60] | J/mol×K | [734.21; 951.69] | 
|
| Cp,gas | 656.82 | J/mol×K | 734.21 | Joback Calculated Property |
| Cp,gas | 673.21 | J/mol×K | 770.46 | Joback Calculated Property |
| Cp,gas | 688.29 | J/mol×K | 806.70 | Joback Calculated Property |
| Cp,gas | 702.12 | J/mol×K | 842.95 | Joback Calculated Property |
| Cp,gas | 714.74 | J/mol×K | 879.20 | Joback Calculated Property |
| Cp,gas | 726.22 | J/mol×K | 915.44 | Joback Calculated Property |
| Cp,gas | 736.60 | J/mol×K | 951.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Aniline, n,n-diethyl-p-phenylsulfonamido-.
Sources
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