- InChI
- InChI=1S/C16H12F5NO2/c1-8(9-3-5-10(23-2)6-4-9)22-24-7-11-12(17)14(19)16(21)15(20)13(11)18/h3-6H,7H2,1-2H3
- InChI Key
- NSIBFOZGYKUYQJ-UHFFFAOYSA-N
- Formula
- C16H12F5NO2
- SMILES
-
COc1ccc(C(C)=NOCc2c(F)c(F)c(F)
c(F)c2F)cc1 - Molecular Weight1
- 345.26
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1141.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.86 | kJ/mol | Joback Calculated Property |
| log10WS | -5.92 | Crippen Calculated Property | |
| logPoct/wat | 4.332 | Crippen Calculated Property | |
| McVol | 215.050 | ml/mol | McGowan Calculated Property |
| Pc | 1548.78 | kPa | Joback Calculated Property |
| Inp | 1906.00 | NIST | |
| I | 2613.00 | NIST | |
| Tboil | 766.47 | K | Joback Calculated Property |
| Tc | 969.49 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetophenone, 4'-methoxy, PFBO # 1.
Sources
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