- InChI
- InChI=1S/C12H9F5O4/c1-6(18)7-3-4-8(9(5-7)20-2)21-10(19)11(13,14)12(15,16)17/h3-5H,1-2H3
- InChI Key
- VYFGIABQVRLBMT-UHFFFAOYSA-N
- Formula
- C12H9F5O4
- SMILES
-
COc1cc(C(C)=O)ccc1OC(=O)C(F)(F
)C(F)(F)F - Molecular Weight1
- 312.19
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -1292.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1565.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.54 | kJ/mol | Joback Calculated Property |
| log10WS | -3.96 | Crippen Calculated Property | |
| logPoct/wat | 3.001 | Crippen Calculated Property | |
| McVol | 179.910 | ml/mol | McGowan Calculated Property |
| Pc | 2135.43 | kPa | Joback Calculated Property |
| Inp | [1423.00; 1423.00] |
|
|
| Inp | 1423.00 | NIST | |
| Inp | 1423.00 | NIST | |
| Tboil | 653.07 | K | Joback Calculated Property |
| Tc | 844.40 | K | Joback Calculated Property |
| Tfus | 428.57 | K | Joback Calculated Property |
| Vc | 0.716 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [482.29; 538.44] | J/mol×K | [653.07; 844.40] |
|
| Cp,gas | 482.29 | J/mol×K | 653.07 | Joback Calculated Property |
| Cp,gas | 493.49 | J/mol×K | 684.96 | Joback Calculated Property |
| Cp,gas | 503.91 | J/mol×K | 716.85 | Joback Calculated Property |
| Cp,gas | 513.59 | J/mol×K | 748.73 | Joback Calculated Property |
| Cp,gas | 522.55 | J/mol×K | 780.62 | Joback Calculated Property |
| Cp,gas | 530.82 | J/mol×K | 812.51 | Joback Calculated Property |
| Cp,gas | 538.44 | J/mol×K | 844.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4'-Hydroxy-3'-methoxyacetophenone, pentafluoropropionate.
Sources
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