- InChI
- InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
- InChI Key
- YCMLQMDWSXFTIF-UHFFFAOYSA-N
- Formula
- C7H9NO2S
- SMILES
- Cc1ccccc1S(N)(=O)=O
- Molecular Weight1
- 171.22
- CAS
- 88-19-7
- Other Names
-
- 2-Tolylsulfonamide
- 2-methylbenzenesulfonamide
- 2-toluenesulfonamide
- NSC 2185
- OTS amide
- Ortho-toluol-sulfonamid
- Toluene-2-sulfonamide
- o-Methylbenzenesulfonamide
- o-toluenesulfonamide
- ortho-Toluenesulfonamide
- toluene-2-sulphonamide
- 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).
- Ttriple : Triple Point Temperature (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 | 0.5583 | Relay (1.0) Calculated Property | |
| ΔfG° | -291.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -247.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.26 | kJ/mol | Enthalpies of combustion and formation of benzenesulfonamide and some of its derivatives |
| ΔvapH° | 80.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.02 | Aq. Solubility Prediction | |
| logPoct/wat | 0.642 | Crippen Calculated Property | |
| McVol | 123.800 | ml/mol | McGowan Calculated Property |
| Pc | 5390.71 | kPa | Joback Calculated Property |
| Tboil | 562.92 | K | Relay (1.0) Calculated Property |
| Tc | 812.65 | K | Relay (1.0) Calculated Property |
| Tfus | [429.30; 429.30] | K |
|
| Tfus | 429.30 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 429.30 | K | Aq. Solubility Prediction |
| Ttriple | 427.35 | K | Solubility Measurement and Thermodynamic Modeling for o-Toluenesulfonamide in 16 Solvents from T = 273.15 to 323.85 K |
| Vc | 0.432 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.66; 364.10] | 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 | 1.66500e+01 | |||
| Coefficient B | 6.25910e-01 | |||
| Coefficient C | -2.98960e-04 | |||
| Coefficient D | 2.05000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 165.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 201.57 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 233.87 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 262.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 287.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 309.70 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 328.18 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 343.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 355.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 364.10 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenesulfonamide, 2-methyl-.
Mixtures
- Benzenesulfonamide, 2-methyl- + Methyl Alcohol
- Benzenesulfonamide, 2-methyl- + Ethanol
- 1-Propanol + Benzenesulfonamide, 2-methyl-
- Benzenesulfonamide, 2-methyl- + 2-Propanol
- Benzenesulfonamide, 2-methyl- + 1-Butanol
- Benzenesulfonamide, 2-methyl- + 1-Propanol, 2-methyl-
- Benzenesulfonamide, 2-methyl- + 1-Pentanol
- Benzenesulfonamide, 2-methyl- + 1-Butanol, 3-methyl-
- Benzenesulfonamide, 2-methyl- + Acetone
- Benzenesulfonamide, 2-methyl- + Ethyl Acetate
- Benzenesulfonamide, 2-methyl- + Acetonitrile
- Benzenesulfonamide, 2-methyl- + Cyclohexanone
- Benzenesulfonamide, 2-methyl- + Cyclopentanone
- Benzenesulfonamide, 2-methyl- + Acetic acid, methyl ester
- Ethyl formate + Benzenesulfonamide, 2-methyl-
- Benzenesulfonamide, 2-methyl- + Methylene chloride
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Enthalpies of combustion and formation of benzenesulfonamide and some of its derivatives
- Solubility and Mixing Thermodynamics Properties of p-Toluenesulfonamide and o-Toluenesulfonamide in Seven Monosolvents at Different Temperatures
- Solubility Measurement and Thermodynamic Modeling for o-Toluenesulfonamide in 16 Solvents from T = 273.15 to 323.85 K
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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