- InChI
- InChI=1S/C13H9F7O4/c1-6(21)7-3-4-8(9(5-7)23-2)24-10(22)11(14,15)12(16,17)13(18,19)20/h3-5H,1-2H3
- InChI Key
- OZXPCJJAUGSZNL-UHFFFAOYSA-N
- Formula
- C13H9F7O4
- SMILES
-
COc1cc(C(C)=O)ccc1OC(=O)C(F)(F
)C(F)(F)C(F)(F)F - Molecular Weight1
- 362.20
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.6993 | Relay (... Calculated Property | |
| ΔfG° | -1671.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2068.82 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.06 | kJ/mol | Relay (... Calculated Property |
| IE | 9.18 | eV | Relay (... Calculated Property |
| log10WS | -4.72 | Relay (... Calculated Property | |
| logPoct/wat | 3.636 | Crippen Calculated Property | |
| McVol | 197.540 | ml/mol | McGowan Calculated Property |
| Pc | 1840.41 | kPa | Joback Calculated Property |
| Inp | 1465.00 | NIST | |
| Tboil | 532.47 | K | Relay (... Calculated Property |
| Tc | 705.48 | K | Relay (... Calculated Property |
| Tfus | 317.04 | K | Relay (... Calculated Property |
| Vc | 0.726 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [551.66; 606.75] | J/mol×K | [671.26; 855.52] | 
|
| Cp,gas | 551.66 | J/mol×K | 671.26 | Joback Calculated Property |
| Cp,gas | 562.74 | J/mol×K | 701.97 | Joback Calculated Property |
| Cp,gas | 573.00 | J/mol×K | 732.68 | Joback Calculated Property |
| Cp,gas | 582.49 | J/mol×K | 763.39 | Joback Calculated Property |
| Cp,gas | 591.25 | J/mol×K | 794.10 | Joback Calculated Property |
| Cp,gas | 599.32 | J/mol×K | 824.81 | Joback Calculated Property |
| Cp,gas | 606.75 | J/mol×K | 855.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4'-Hydroxy-3'-methoxyacetophenone, heptafluorobutyrate.
Sources
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