- InChI
- InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
- InChI Key
- VGEREEWJJVICBM-UHFFFAOYSA-N
- Formula
- C15H14O5
- SMILES
-
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)c
c1O - Molecular Weight1
- 274.27
- Other Names
-
- phloretin
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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° | -447.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -701.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.44 | kJ/mol | Solubil... |
| ΔvapH° | 112.34 | kJ/mol | Joback Calculated Property |
| log10WS | -2.36 | Crippen Calculated Property | |
| logPoct/wat | 2.324 | Crippen Calculated Property | |
| McVol | 199.740 | ml/mol | McGowan Calculated Property |
| Pc | 5594.19 | kPa | Joback Calculated Property |
| Tboil | 972.31 | K | Joback Calculated Property |
| Tc | 1237.14 | K | Joback Calculated Property |
| Tfus | 808.46 | K | Joback Calculated Property |
| Ttriple | 542.96 | K | Solubil... |
| Vc | 0.529 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [625.03; 751.43] | J/mol×K | [972.31; 1237.14] | 
|
| Cp,gas | 625.03 | J/mol×K | 972.31 | Joback Calculated Property |
| Cp,gas | 640.93 | J/mol×K | 1016.45 | Joback Calculated Property |
| Cp,gas | 658.38 | J/mol×K | 1060.59 | Joback Calculated Property |
| Cp,gas | 677.77 | J/mol×K | 1104.72 | Joback Calculated Property |
| Cp,gas | 699.49 | J/mol×K | 1148.86 | Joback Calculated Property |
| Cp,gas | 723.91 | J/mol×K | 1193.00 | Joback Calculated Property |
| Cp,gas | 751.43 | J/mol×K | 1237.14 | Joback Calculated Property |
| η | [3.0807758e-10; 3.8267684e-09] | Pa×s | [808.46; 972.31] |
|
| η | 3.8267684e-09 | Pa×s | 808.46 | Joback Calculated Property |
| η | 2.3478871e-09 | Pa×s | 835.77 | Joback Calculated Property |
| η | 1.4857567e-09 | Pa×s | 863.08 | Joback Calculated Property |
| η | 9.6695962e-10 | Pa×s | 890.38 | Joback Calculated Property |
| η | 6.4561098e-10 | Pa×s | 917.69 | Joback Calculated Property |
| η | 4.4123803e-10 | Pa×s | 945.00 | Joback Calculated Property |
| η | 3.0807758e-10 | Pa×s | 972.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one.
Sources
- Crippen Method
- Crippen Method
- Solubilities of Three Flavonoids in Different Natural Deep Eutectic Solvents at T = (288.15 to 328.15) K
- Joback Method
- McGowan Method
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