- InChI
- InChI=1S/C15H15N3O2S/c1-18(2)14-7-5-13(6-8-14)17-21(19,20)15-9-3-12(11-16)4-10-15/h3-10,17H,1-2H3
- InChI Key
- WZXNWYRDZUGVFZ-UHFFFAOYSA-N
- Formula
- C15H15N3O2S
- SMILES
-
CN(C)c1ccc(NS(=O)(=O)c2ccc(C#N
)cc2)cc1 - Molecular Weight1
- 301.36
- CAS
- 19770-74-2
- 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° | 145.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -70.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.45 | kJ/mol | Joback Calculated Property |
| log10WS | -3.24 | Crippen Calculated Property | |
| logPoct/wat | 2.425 | Crippen Calculated Property | |
| McVol | 224.120 | ml/mol | McGowan Calculated Property |
| Pc | 2814.34 | kPa | Joback Calculated Property |
| Tboil | 818.39 | K | Joback Calculated Property |
| Tc | 1050.86 | K | Joback Calculated Property |
| Tfus | 525.37 | K | Joback Calculated Property |
| Vc | 0.865 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [623.76; 679.53] | J/mol×K | [818.39; 1050.86] | 
|
| Cp,gas | 623.76 | J/mol×K | 818.39 | Joback Calculated Property |
| Cp,gas | 635.95 | J/mol×K | 857.13 | Joback Calculated Property |
| Cp,gas | 646.90 | J/mol×K | 895.88 | Joback Calculated Property |
| Cp,gas | 656.69 | J/mol×K | 934.62 | Joback Calculated Property |
| Cp,gas | 665.36 | J/mol×K | 973.37 | Joback Calculated Property |
| Cp,gas | 672.95 | J/mol×K | 1012.11 | Joback Calculated Property |
| Cp,gas | 679.53 | J/mol×K | 1050.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Aniline, n,n-dimethyl-p-(p-cyanophenylsulfonamido)-.
Sources
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