- InChI
- InChI=1S/C11H17NO2S/c1-3-4-9-12-15(13,14)11-7-5-10(2)6-8-11/h5-8,12H,3-4,9H2,1-2H3
- InChI Key
- RQUXYBHREKXNKT-UHFFFAOYSA-N
- Formula
- C11H17NO2S
- SMILES
- CCCCNS(=O)(=O)c1ccc(C)cc1
- Molecular Weight1
- 227.32
- CAS
- 1907-65-9
- Other Names
-
- p-Toluenesulfonamide, N-butyl-
- N-Butyl-p-toluenesulfonamide
- N-Tosylbutylamine
- n-Butyl-4-toluenesulfonamide
- N-n-Butyl-4-toluenesulfonamide
- N-n-Butyl-p-toluene sulfonamide
- 4-(N-1-Butyl)toluenesulfonamide
- n-Butyl-4-methylbenzenesulfonamide
- NSC 2180
- N-butyltoluene-4-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).
- 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 | 0.6382 | Relay (1.0) Calculated Property | |
| ΔfG° | -234.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -321.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.073 | Crippen Calculated Property | |
| McVol | 180.160 | ml/mol | McGowan Calculated Property |
| Pc | 3121.00 | kPa | Joback Calculated Property |
| Tboil | 613.34 | K | Relay (1.0) Calculated Property |
| Tc | 813.66 | K | Relay (1.0) Calculated Property |
| Tfus | 351.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.646 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [435.05; 515.23] | J/mol×K | [580.69; 778.46] | 
|
| Cp,gas | 435.05 | J/mol×K | 580.69 | Joback Calculated Property |
| Cp,gas | 450.52 | J/mol×K | 613.65 | Joback Calculated Property |
| Cp,gas | 465.13 | J/mol×K | 646.61 | Joback Calculated Property |
| Cp,gas | 478.89 | J/mol×K | 679.58 | Joback Calculated Property |
| Cp,gas | 491.82 | J/mol×K | 712.54 | Joback Calculated Property |
| Cp,gas | 503.92 | J/mol×K | 745.50 | Joback Calculated Property |
| Cp,gas | 515.23 | J/mol×K | 778.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenesulfonamide, N-butyl-4-methyl-.
Sources
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