- InChI
- InChI=1S/C13H7ClF3NO/c14-7-2-1-3-8(6-7)18-13(19)9-4-5-10(15)12(17)11(9)16/h1-6H,(H,18,19)
- InChI Key
- CXWYWCNYBSGLEK-UHFFFAOYSA-N
- Formula
- C13H7ClF3NO
- SMILES
-
OC(=Nc1cccc(Cl)c1)c1ccc(F)c(F)
c1F - Molecular Weight1
- 285.65
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- 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 |
|---|---|---|---|
| ω | 0.7671 | Relay (1.0) Calculated Property | |
| ΔfG° | -344.48 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -499.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 104.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.394 | Crippen Calculated Property | |
| McVol | 175.610 | ml/mol | McGowan Calculated Property |
| Pc | 2393.53 | kPa | Joback Calculated Property |
| Inp | [1972.00; 1972.00] |
|
|
| Inp | 1972.00 | NIST | |
| Inp | 1972.00 | NIST | |
| Tboil | 606.79 | K | Relay (1.0) Calculated Property |
| Tc | 866.57 | K | Relay (1.0) Calculated Property |
| Tfus | 397.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.625 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-chlorophenyl)-2,3,4-trifluoro-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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