- InChI
- InChI=1S/C12H19NO2S/c1-4-10-13(5-2)16(14,15)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3
- InChI Key
- HXHQLUVCZUZJND-UHFFFAOYSA-N
- Formula
- C12H19NO2S
- SMILES
- CCCN(CC)S(=O)(=O)c1ccc(C)cc1
- Molecular Weight1
- 241.35
- 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 | 0.5854 | Relay (1.0) Calculated Property | |
| ΔfG° | -204.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -318.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.416 | Crippen Calculated Property | |
| McVol | 194.250 | ml/mol | McGowan Calculated Property |
| Pc | 2767.17 | kPa | Joback Calculated Property |
| Inp | [2022.00; 2022.00] |
|
|
| Inp | 2022.00 | NIST | |
| Inp | 2022.00 | NIST | |
| Tboil | 618.43 | K | Relay (1.0) Calculated Property |
| Tc | 798.24 | K | Relay (1.0) Calculated Property |
| Tfus | 333.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.695 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [467.28; 554.87] | J/mol×K | [565.84; 757.75] |
|
| Cp,gas | 467.28 | J/mol×K | 565.84 | Joback Calculated Property |
| Cp,gas | 484.11 | J/mol×K | 597.82 | Joback Calculated Property |
| Cp,gas | 500.01 | J/mol×K | 629.81 | Joback Calculated Property |
| Cp,gas | 515.02 | J/mol×K | 661.79 | Joback Calculated Property |
| Cp,gas | 529.16 | J/mol×K | 693.78 | Joback Calculated Property |
| Cp,gas | 542.43 | J/mol×K | 725.76 | Joback Calculated Property |
| Cp,gas | 554.87 | J/mol×K | 757.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenesulfonamide, 4-methyl-N-ethyl-N-propyl-.
Sources
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