- InChI
- InChI=1S/C13H21NO2S/c1-4-6-11-14(5-2)17(15,16)13-9-7-12(3)8-10-13/h7-10H,4-6,11H2,1-3H3
- InChI Key
- CYNQPLYBFFTOKF-UHFFFAOYSA-N
- Formula
- C13H21NO2S
- SMILES
- CCCCN(CC)S(=O)(=O)c1ccc(C)cc1
- Molecular Weight1
- 255.38
- 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 | 0.6295 | Relay (... Calculated Property | |
| ΔfG° | -196.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -340.50 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.73 | kJ/mol | Relay (... Calculated Property |
| IE | 7.89 | eV | Relay (... Calculated Property |
| log10WS | -4.35 | Relay (... Calculated Property | |
| logPoct/wat | 2.806 | Crippen Calculated Property | |
| McVol | 208.340 | ml/mol | McGowan Calculated Property |
| Pc | 2507.52 | kPa | Joback Calculated Property |
| Inp | [2070.00; 2070.00] |
|
|
| Inp | 2070.00 | NIST | |
| Inp | 2070.00 | NIST | |
| Tboil | 626.43 | K | Relay (... Calculated Property |
| Tc | 809.20 | K | Relay (... Calculated Property |
| Tfus | 330.33 | K | Relay (... Calculated Property |
| Vc | 0.747 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [518.00; 608.13] | J/mol×K | [588.72; 778.33] |
|
| Cp,gas | 518.00 | J/mol×K | 588.72 | Joback Calculated Property |
| Cp,gas | 535.32 | J/mol×K | 620.32 | Joback Calculated Property |
| Cp,gas | 551.69 | J/mol×K | 651.92 | Joback Calculated Property |
| Cp,gas | 567.13 | J/mol×K | 683.53 | Joback Calculated Property |
| Cp,gas | 581.67 | J/mol×K | 715.13 | Joback Calculated Property |
| Cp,gas | 595.33 | J/mol×K | 746.73 | Joback Calculated Property |
| Cp,gas | 608.13 | J/mol×K | 778.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenesulfonamide, 4-methyl-N-ethyl-N-butyl-.
Sources
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