- InChI
- InChI=1S/C18H15ClF3NO2/c1-12(24)23(10-9-18(20,21)22)16-8-7-14(19)11-15(16)17(25)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3
- InChI Key
- JJSNDXZGTNQKCR-UHFFFAOYSA-N
- Formula
- C18H15ClF3NO2
- SMILES
-
CC(=O)N(CCC(F)(F)F)c1ccc(Cl)cc
1C(=O)c1ccccc1 - Molecular Weight1
- 369.76
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -434.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -735.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.71 | kJ/mol | Joback Calculated Property |
| log10WS | -5.72 | Crippen Calculated Property | |
| logPoct/wat | 4.876 | Crippen Calculated Property | |
| McVol | 247.630 | ml/mol | McGowan Calculated Property |
| Pc | 1821.61 | kPa | Joback Calculated Property |
| Inp | [2380.00; 2380.00] |
|
|
| Inp | 2380.00 | NIST | |
| Inp | 2380.00 | NIST | |
| Tboil | 826.75 | K | Joback Calculated Property |
| Tc | 1046.81 | K | Joback Calculated Property |
| Tfus | 536.94 | K | Joback Calculated Property |
| Vc | 0.950 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [702.20; 762.41] | J/mol×K | [826.75; 1046.81] |
|
| Cp,gas | 702.20 | J/mol×K | 826.75 | Joback Calculated Property |
| Cp,gas | 714.40 | J/mol×K | 863.43 | Joback Calculated Property |
| Cp,gas | 725.60 | J/mol×K | 900.10 | Joback Calculated Property |
| Cp,gas | 735.91 | J/mol×K | 936.78 | Joback Calculated Property |
| Cp,gas | 745.42 | J/mol×K | 973.46 | Joback Calculated Property |
| Cp,gas | 754.22 | J/mol×K | 1010.13 | Joback Calculated Property |
| Cp,gas | 762.41 | J/mol×K | 1046.81 | Joback Calculated Property |
Similar Compounds
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Sources
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