- InChI
- InChI=1S/C13H5ClF5NO/c14-5-2-1-3-6(4-5)20-13(21)7-8(15)10(17)12(19)11(18)9(7)16/h1-4H,(H,20,21)
- InChI Key
- GZUHDNOIYISDGC-UHFFFAOYSA-N
- Formula
- C13H5ClF5NO
- SMILES
-
OC(=Nc1cccc(Cl)c1)c1c(F)c(F)c(
F)c(F)c1F - Molecular Weight1
- 321.63
- 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 | 0.7993 | Relay (1.0) Calculated Property | |
| ΔfG° | -691.46 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -767.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 101.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.672 | Crippen Calculated Property | |
| McVol | 179.150 | ml/mol | McGowan Calculated Property |
| Pc | 2135.43 | kPa | Joback Calculated Property |
| Inp | 1909.00 | NIST | |
| Tboil | 592.51 | K | Relay (1.0) Calculated Property |
| Tc | 844.09 | K | Relay (1.0) Calculated Property |
| Tfus | 400.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.642 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-chlorophenyl)-2,3,4,5,6-pentafluoro-.
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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