- InChI
- InChI=1S/C20H14F2N2O2/c21-15-8-1-3-10-17(15)23-19(25)13-6-5-7-14(12-13)20(26)24-18-11-4-2-9-16(18)22/h1-12H,(H,23,25)(H,24,26)
- InChI Key
- NGMBMIKWVLIQJO-UHFFFAOYSA-N
- Formula
- C20H14F2N2O2
- SMILES
-
OC(=Nc1ccccc1F)c1cccc(C(O)=Nc2
ccccc2F)c1 - Molecular Weight1
- 352.33
- 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 | 1.0204 | Relay (1.0) Calculated Property | |
| ΔfG° | -46.64 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -370.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 147.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.237 | Crippen Calculated Property | |
| McVol | 248.020 | ml/mol | McGowan Calculated Property |
| Pc | 1896.95 | kPa | Joback Calculated Property |
| Inp | [3282.00; 3282.00] |
|
|
| Inp | 3282.00 | NIST | |
| Inp | 3282.00 | NIST | |
| Tboil | 672.07 | K | Relay (1.0) Calculated Property |
| Tc | 1051.70 | K | Relay (1.0) Calculated Property |
| Tfus | 455.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.881 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, diamide N,N'-di(2-fluorophenyl)-.
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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