- InChI
- InChI=1S/C13H13NO2S/c1-14(12-8-4-2-5-9-12)17(15,16)13-10-6-3-7-11-13/h2-11H,1H3
- InChI Key
- KRXAPUFKQQWAGK-UHFFFAOYSA-N
- Formula
- C13H13NO2S
- SMILES
- CN(c1ccccc1)S(=O)(=O)c1ccccc1
- Molecular Weight1
- 247.31
- CAS
- 90-10-8
- Other Names
-
- Benzenesulfonanilide, N-methyl-
- N-Methylbenzenesulfonanilide
- 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 | 0.5595 | Relay (1.0) Calculated Property | |
| ΔfG° | -74.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -85.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.512 | Crippen Calculated Property | |
| McVol | 184.580 | ml/mol | McGowan Calculated Property |
| Pc | 3668.65 | kPa | Joback Calculated Property |
| Tboil | 636.07 | K | Relay (1.0) Calculated Property |
| Tc | 914.64 | K | Relay (1.0) Calculated Property |
| Tfus | 381.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.658 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [444.78; 526.79] | J/mol×K | [610.42; 840.14] | 
|
| Cp,gas | 444.78 | J/mol×K | 610.42 | Joback Calculated Property |
| Cp,gas | 461.67 | J/mol×K | 648.71 | Joback Calculated Property |
| Cp,gas | 477.19 | J/mol×K | 686.99 | Joback Calculated Property |
| Cp,gas | 491.40 | J/mol×K | 725.28 | Joback Calculated Property |
| Cp,gas | 504.37 | J/mol×K | 763.57 | Joback Calculated Property |
| Cp,gas | 516.14 | J/mol×K | 801.86 | Joback Calculated Property |
| Cp,gas | 526.79 | J/mol×K | 840.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenesulfonamide, N-methyl-N-phenyl-.
Sources
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