- InChI
- InChI=1S/C17H11F3N2O3/c18-17(19,20)14(24)22-13(23)16(21-15(22)25,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,21,25)
- InChI Key
- RVHBCQFDGYGGMH-UHFFFAOYSA-N
- Formula
- C17H11F3N2O3
- SMILES
-
O=C1NC(c2ccccc2)(c2ccccc2)C(=O
)N1C(=O)C(F)(F)F - Molecular Weight1
- 348.28
- 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 | 0.6008 | Relay (1.0) Calculated Property | |
| ΔfG° | -573.84 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -812.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.571 | Crippen Calculated Property | |
| McVol | 221.990 | ml/mol | McGowan Calculated Property |
| Pc | 1760.72 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2218.00 | NIST | |
| Tboil | 629.13 | K | Relay (1.0) Calculated Property |
| Tc | 931.71 | K | Relay (1.0) Calculated Property |
| Tfus | 410.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.782 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5,5-Diphenylhydantoin, 3-trifluoroacetyl-.
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
- McGowan Method
- NIST Webbook
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