- InChI
- InChI=1S/C11H14O4/c1-7(12)4-8-5-9(14-2)11(13)10(6-8)15-3/h5-6,13H,4H2,1-3H3
- InChI Key
- JFWTZKQUFCDLNG-UHFFFAOYSA-N
- Formula
- C11H14O4
- SMILES
- COc1cc(CC(C)=O)cc(OC)c1O
- Molecular Weight1
- 210.23
- Other Names
-
- Syringylpropanone
- 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).
- Inp : Non-polar retention indices.
- I : 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° | -358.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -611.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.26 | kJ/mol | Joback Calculated Property |
| log10WS | -1.76 | Crippen Calculated Property | |
| logPoct/wat | 1.541 | Crippen Calculated Property | |
| McVol | 161.270 | ml/mol | McGowan Calculated Property |
| Pc | 3103.64 | kPa | Joback Calculated Property |
| Inp | [1781.00; 1781.00] |
|
|
| Inp | 1781.00 | NIST | |
| Inp | 1781.00 | NIST | |
| I | [2916.00; 2916.00] |
|
|
| I | 2916.00 | NIST | |
| I | 2916.00 | NIST | |
| Tboil | 667.05 | K | Joback Calculated Property |
| Tc | 885.56 | K | Joback Calculated Property |
| Tfus | 471.30 | K | Joback Calculated Property |
| Vc | 0.551 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [420.53; 484.86] | J/mol×K | [667.05; 885.56] |
|
| Cp,gas | 420.53 | J/mol×K | 667.05 | Joback Calculated Property |
| Cp,gas | 432.84 | J/mol×K | 703.47 | Joback Calculated Property |
| Cp,gas | 444.47 | J/mol×K | 739.89 | Joback Calculated Property |
| Cp,gas | 455.46 | J/mol×K | 776.31 | Joback Calculated Property |
| Cp,gas | 465.83 | J/mol×K | 812.72 | Joback Calculated Property |
| Cp,gas | 475.62 | J/mol×K | 849.14 | Joback Calculated Property |
| Cp,gas | 484.86 | J/mol×K | 885.56 | Joback Calculated Property |
| η | [0.0000170; 0.0002436] | Pa×s | [471.30; 667.05] |
|
| η | 0.0002436 | Pa×s | 471.30 | Joback Calculated Property |
| η | 0.0001353 | Pa×s | 503.93 | Joback Calculated Property |
| η | 0.0000807 | Pa×s | 536.55 | Joback Calculated Property |
| η | 0.0000511 | Pa×s | 569.17 | Joback Calculated Property |
| η | 0.0000340 | Pa×s | 601.80 | Joback Calculated Property |
| η | 0.0000236 | Pa×s | 634.42 | Joback Calculated Property |
| η | 0.0000170 | Pa×s | 667.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(4-hydroxy-3,5-dimethoxyphenyl)-2-propanone.
Sources
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