- InChI
- InChI=1S/CH2F3NO2S/c2-1(3,4)8(5,6)7/h(H2,5,6,7)
- InChI Key
- KAKQVSNHTBLJCH-UHFFFAOYSA-N
- Formula
- CH2F3NO2S
- SMILES
- NS(=O)(=O)C(F)(F)F
- Molecular Weight1
- 149.09
- CAS
- 421-85-2
- 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).
- 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 | 0.4199 | Relay (1.0) Calculated Property | |
| ΔfG° | -1026.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -939.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.205 | Crippen Calculated Property | |
| McVol | 68.330 | ml/mol | McGowan Calculated Property |
| Pc | 6740.71 | kPa | Joback Calculated Property |
| Tboil | 353.39 | K | Relay (1.0) Calculated Property |
| Tc | 535.21 | K | Relay (1.0) Calculated Property |
| Tfus | 384.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.273 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [130.72; 160.58] | J/mol×K | [337.17; 500.14] | 
|
| Cp,gas | 130.72 | J/mol×K | 337.17 | Joback Calculated Property |
| Cp,gas | 136.38 | J/mol×K | 364.33 | Joback Calculated Property |
| Cp,gas | 141.75 | J/mol×K | 391.49 | Joback Calculated Property |
| Cp,gas | 146.86 | J/mol×K | 418.66 | Joback Calculated Property |
| Cp,gas | 151.70 | J/mol×K | 445.82 | Joback Calculated Property |
| Cp,gas | 156.27 | J/mol×K | 472.98 | Joback Calculated Property |
| Cp,gas | 160.58 | J/mol×K | 500.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to CH2F3NO2S.
Sources
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