- InChI
- InChI=1S/C11H17NO2S/c1-6-7(2)9(4)11(15(12,13)14)10(5)8(6)3/h1-5H3,(H2,12,13,14)
- InChI Key
- QITSJCOOORWWSM-UHFFFAOYSA-N
- Formula
- C11H17NO2S
- SMILES
-
Cc1c(C)c(C)c(S(N)(=O)=O)c(C)c1
C - Molecular Weight1
- 227.32
- CAS
- 208173-25-5
- 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° | -296.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -510.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.94 | kJ/mol | Joback Calculated Property |
| log10WS | -3.55 | Crippen Calculated Property | |
| logPoct/wat | 1.876 | Crippen Calculated Property | |
| McVol | 180.160 | ml/mol | McGowan Calculated Property |
| Pc | 3065.95 | kPa | Joback Calculated Property |
| Tboil | 622.97 | K | Joback Calculated Property |
| Tc | 832.32 | K | Joback Calculated Property |
| Tfus | 424.57 | K | Joback Calculated Property |
| Vc | 0.699 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [444.63; 519.18] | J/mol×K | [622.97; 832.32] | 
|
| Cp,gas | 444.63 | J/mol×K | 622.97 | Joback Calculated Property |
| Cp,gas | 458.97 | J/mol×K | 657.86 | Joback Calculated Property |
| Cp,gas | 472.56 | J/mol×K | 692.75 | Joback Calculated Property |
| Cp,gas | 485.38 | J/mol×K | 727.64 | Joback Calculated Property |
| Cp,gas | 497.43 | J/mol×K | 762.54 | Joback Calculated Property |
| Cp,gas | 508.70 | J/mol×K | 797.43 | Joback Calculated Property |
| Cp,gas | 519.18 | J/mol×K | 832.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentamethylbenzenesulphonamide.
Sources
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