- InChI
- InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3
- InChI Key
- XLEYFDVVXLMULC-UHFFFAOYSA-N
- Formula
- C8H8O4
- SMILES
- CC(=O)c1c(O)cc(O)cc1O
- Molecular Weight1
- 168.15
- CAS
- 480-66-0
- Other Names
-
- Acetophenone, 2',4',6'-trihydroxy-
- Acetophloroglucine
- Acetylphloroglucinol
- Phloroacetophenone
- 1-(2,4,6-Trihydroxyphenyl)ethanone
- 2',4',6'-Trihydroxyacetophenone
- 2,4,6-Trihydroxyacetophenone
- Phloracetophenone
- Phloracetophene
- NSC 54927
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -638.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.006 | Crippen Calculated Property | |
| McVol | 119.000 | ml/mol | McGowan Calculated Property |
| Tboil | 557.46 | K | Relay (1.0) Calculated Property |
| Tfus | 464.69 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [314.57; 360.50] | J/mol×K | [704.85; 958.07] | 
|
| Cp,gas | 314.57 | J/mol×K | 704.85 | Joback Calculated Property |
| Cp,gas | 322.12 | J/mol×K | 747.05 | Joback Calculated Property |
| Cp,gas | 329.41 | J/mol×K | 789.26 | Joback Calculated Property |
| Cp,gas | 336.67 | J/mol×K | 831.46 | Joback Calculated Property |
| Cp,gas | 344.12 | J/mol×K | 873.67 | Joback Calculated Property |
| Cp,gas | 351.99 | J/mol×K | 915.87 | Joback Calculated Property |
| Cp,gas | 360.50 | J/mol×K | 958.07 | Joback Calculated Property |
| η | [0.0000002; 0.0000027] | Pa×s | [591.43; 704.85] |
|
| η | 0.0000027 | Pa×s | 591.43 | Joback Calculated Property |
| η | 0.0000017 | Pa×s | 610.33 | Joback Calculated Property |
| η | 0.0000011 | Pa×s | 629.24 | Joback Calculated Property |
| η | 0.0000007 | Pa×s | 648.14 | Joback Calculated Property |
| η | 0.0000005 | Pa×s | 667.04 | Joback Calculated Property |
| η | 0.0000003 | Pa×s | 685.95 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 704.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 1-(2,4,6-trihydroxyphenyl)-.
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
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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