- InChI
- InChI=1S/C15H18N2O2S/c1-11-4-7-13(8-5-11)20(18,19)15-10-12(17(2)3)6-9-14(15)16/h4-10H,16H2,1-3H3
- InChI Key
- GWHVLJHWAVVOJZ-UHFFFAOYSA-N
- Formula
- C15H18N2O2S
- SMILES
-
Cc1ccc(S(=O)(=O)c2cc(N(C)C)ccc
2N)cc1 - Molecular Weight1
- 290.39
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -144.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.76 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.476 | Crippen Calculated Property | |
| McVol | 222.740 | ml/mol | McGowan Calculated Property |
| Tboil | 694.69 | K | Relay (1.0) Calculated Property |
| Tfus | 440.32 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.72; 690.25] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -6.62000e+00 | |||
| Coefficient B | 1.31195e+00 | |||
| Coefficient C | -7.43880e-04 | |||
| Coefficient D | 1.28800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 298.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 370.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 433.59 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 489.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 538.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 580.54 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 616.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 646.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 670.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 690.25 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Aniline, 4-(n,n-dimethylamino)-2-(p-tolylsulfonyl)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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