- InChI
- InChI=1S/C15H12F5N3O/c1-9-8-10(2)22-13(21-9)23(11-6-4-3-5-7-11)12(24)14(16,17)15(18,19)20/h3-8H,1-2H3
- InChI Key
- DLJMRZHECVMFKA-UHFFFAOYSA-N
- Formula
- C15H12F5N3O
- SMILES
-
Cc1cc(C)nc(N(C(=O)C(F)(F)C(F)(
F)F)c2ccccc2)n1 - Molecular Weight1
- 345.27
- Other Names
-
- 4,6-Dimethyl-N-pentafluoropropionyl-N-phenyl-2-pyrimidinamine
- 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 | 0.6381 | Relay (... Calculated Property | |
| ΔfG° | -724.63 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1020.69 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 82.89 | kJ/mol | Relay (... Calculated Property |
| IE | 8.42 | eV | Relay (... Calculated Property |
| log10WS | -4.74 | Relay (... Calculated Property | |
| logPoct/wat | 3.956 | Crippen Calculated Property | |
| McVol | 215.050 | ml/mol | McGowan Calculated Property |
| Pc | 1867.97 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1701.00 | NIST | |
| Tboil | 570.32 | K | Relay (... Calculated Property |
| Tc | 815.22 | K | Relay (... Calculated Property |
| Tfus | 334.31 | K | Relay (... Calculated Property |
| Vc | 0.785 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pyrimidinamine, 4,6-dimethyl-N-pentafluoropropionyl-N-phenyl-.
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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