- InChI
- InChI=1S/C10H12N2O2S/c1-9-3-5-10(6-4-9)15(13,14)12-8-2-7-11/h3-6,12H,2,8H2,1H3
- InChI Key
- WAUWKQNTCJXJMA-UHFFFAOYSA-N
- Formula
- C10H12N2O2S
- SMILES
- Cc1ccc(S(=O)(=O)NCCC#N)cc1
- Molecular Weight1
- 224.28
- CAS
- 2619-22-9
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -109.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -259.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.34 | kJ/mol | Joback Calculated Property |
| log10WS | -2.52 | Crippen Calculated Property | |
| logPoct/wat | 1.187 | Crippen Calculated Property | |
| McVol | 167.450 | ml/mol | McGowan Calculated Property |
| Pc | 3384.14 | kPa | Joback Calculated Property |
| Tboil | 659.89 | K | Joback Calculated Property |
| Tc | 874.60 | K | Joback Calculated Property |
| Tfus | 397.61 | K | Joback Calculated Property |
| Vc | 0.674 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [414.91; 474.65] | J/mol×K | [659.89; 874.60] | 
|
| Cp,gas | 414.91 | J/mol×K | 659.89 | Joback Calculated Property |
| Cp,gas | 426.96 | J/mol×K | 695.67 | Joback Calculated Property |
| Cp,gas | 438.15 | J/mol×K | 731.46 | Joback Calculated Property |
| Cp,gas | 448.50 | J/mol×K | 767.24 | Joback Calculated Property |
| Cp,gas | 458.03 | J/mol×K | 803.03 | Joback Calculated Property |
| Cp,gas | 466.74 | J/mol×K | 838.81 | Joback Calculated Property |
| Cp,gas | 474.65 | J/mol×K | 874.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-toluenesulfonamide, n-(2-cyanoethyl)-.
Sources
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