- InChI
- InChI=1S/C16H20N2O2S/c1-11-5-7-14(9-12(11)2)21(19,20)16-10-13(18(3)4)6-8-15(16)17/h5-10H,17H2,1-4H3
- InChI Key
- MHSIKLXGOJINBL-UHFFFAOYSA-N
- Formula
- C16H20N2O2S
- SMILES
-
Cc1ccc(S(=O)(=O)c2cc(N(C)C)ccc
2N)cc1C - Molecular Weight1
- 304.41
- CAS
- 19770-82-2
- 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° | -21.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -298.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.73 | kJ/mol | Joback Calculated Property |
| log10WS | -3.33 | Crippen Calculated Property | |
| logPoct/wat | 2.784 | Crippen Calculated Property | |
| McVol | 236.830 | ml/mol | McGowan Calculated Property |
| Pc | 2651.56 | kPa | Joback Calculated Property |
| Tboil | 771.51 | K | Joback Calculated Property |
| Tc | 998.13 | K | Joback Calculated Property |
| Tfus | 527.29 | K | Joback Calculated Property |
| Vc | 0.888 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [664.28; 738.36] | J/mol×K | [771.51; 998.13] | 
|
| Cp,gas | 664.28 | J/mol×K | 771.51 | Joback Calculated Property |
| Cp,gas | 679.71 | J/mol×K | 809.28 | Joback Calculated Property |
| Cp,gas | 693.86 | J/mol×K | 847.05 | Joback Calculated Property |
| Cp,gas | 706.76 | J/mol×K | 884.82 | Joback Calculated Property |
| Cp,gas | 718.46 | J/mol×K | 922.59 | Joback Calculated Property |
| Cp,gas | 728.98 | J/mol×K | 960.36 | Joback Calculated Property |
| Cp,gas | 738.36 | J/mol×K | 998.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Aniline, 4-(n,n-dimethylamino)-2-(3,4-dimethylphenylsulfonyl)-.
Sources
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