- InChI
- InChI=1S/C12H18FNO2S/c1-10-5-7-11(8-6-10)17(15,16)14(13)9-12(2,3)4/h5-8H,9H2,1-4H3
- InChI Key
- COHNWDUZTLRGOG-UHFFFAOYSA-N
- Formula
- C12H18FNO2S
- SMILES
-
Cc1ccc(S(=O)(=O)N(F)CC(C)(C)C)
cc1 - Molecular Weight1
- 259.34
- CAS
- 88303-17-7
- 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).
- Tboilr : Boiling point at reduced pressure (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° | -396.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -656.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.81 | kJ/mol | Joback Calculated Property |
| log10WS | -3.48 | Crippen Calculated Property | |
| logPoct/wat | 2.916 | Crippen Calculated Property | |
| McVol | 196.020 | ml/mol | McGowan Calculated Property |
| Pc | 2693.00 | kPa | Joback Calculated Property |
| Tboil | 561.88 | K | Joback Calculated Property |
| Tc | 755.64 | K | Joback Calculated Property |
| Tfus | 337.98 | K | Joback Calculated Property |
| Vc | 0.750 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [478.41; 565.66] | J/mol×K | [561.88; 755.64] | 
|
| Cp,gas | 478.41 | J/mol×K | 561.88 | Joback Calculated Property |
| Cp,gas | 495.44 | J/mol×K | 594.17 | Joback Calculated Property |
| Cp,gas | 511.42 | J/mol×K | 626.47 | Joback Calculated Property |
| Cp,gas | 526.40 | J/mol×K | 658.76 | Joback Calculated Property |
| Cp,gas | 540.41 | J/mol×K | 691.05 | Joback Calculated Property |
| Cp,gas | 553.48 | J/mol×K | 723.35 | Joback Calculated Property |
| Cp,gas | 565.66 | J/mol×K | 755.64 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 408.00 | K | 1.00e-03 | NIST |
Similar Compounds
Find more compounds similar to p-Tolyl-N-fluoro-N-neopentylsulfonamide.
Sources
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