- InChI
- InChI=1S/C13H19NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h7-10,12,14H,2-6H2,1H3
- InChI Key
- DKYVVNLWACXMDW-UHFFFAOYSA-N
- Formula
- C13H19NO2S
- SMILES
- Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1
- Molecular Weight1
- 253.36
- CAS
- 80-30-8
- Other Names
-
- p-Toluenesulfonamide, N-cyclohexyl-
- N-Cyclohexyl-p-toluenesulfonamide
- N-Cyclohexyl-4-toluenesulfonamide
- Santicizer 1H
- N-Cyclohexyl-4-methylbenzenesulfonamide
- 4-Toluenesulfonamide, N-cyclohexyl-
- N-cyclohexyltoluene-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).
- Inp : Non-polar retention indices.
- 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 | 0.5872 | Relay (1.0) Calculated Property | |
| ΔfG° | -193.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -347.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.606 | Crippen Calculated Property | |
| McVol | 197.480 | ml/mol | McGowan Calculated Property |
| Pc | 3166.83 | kPa | Joback Calculated Property |
| Inp | [356.63; 356.63] |
|
|
| Inp | 356.63 | NIST | |
| Inp | 356.63 | NIST | |
| Tboil | 648.13 | K | Relay (1.0) Calculated Property |
| Tc | 889.11 | K | Relay (1.0) Calculated Property |
| Tfus | 388.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.699 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [528.85; 625.40] | J/mol×K | [646.00; 871.45] |
|
| Cp,gas | 528.85 | J/mol×K | 646.00 | Joback Calculated Property |
| Cp,gas | 548.39 | J/mol×K | 683.58 | Joback Calculated Property |
| Cp,gas | 566.51 | J/mol×K | 721.15 | Joback Calculated Property |
| Cp,gas | 583.24 | J/mol×K | 758.73 | Joback Calculated Property |
| Cp,gas | 598.61 | J/mol×K | 796.30 | Joback Calculated Property |
| Cp,gas | 612.65 | J/mol×K | 833.88 | Joback Calculated Property |
| Cp,gas | 625.40 | J/mol×K | 871.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenesulfonamide, N-cyclohexyl-4-methyl-.
Sources
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