- InChI
- InChI=1S/C10H12O4/c1-14-10-5-7(2-3-9(10)13)4-8(12)6-11/h2-3,5,11,13H,4,6H2,1H3
- InChI Key
- CSQGINGXEBQJPA-UHFFFAOYSA-N
- Formula
- C10H12O4
- SMILES
- COc1cc(CC(=O)CO)ccc1O
- Molecular Weight1
- 196.20
- CAS
- 4899-74-5
- Other Names
-
- 1-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-one
- 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.
- 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° | -389.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -599.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.64 | kJ/mol | Joback Calculated Property |
| log10WS | -0.90 | Crippen Calculated Property | |
| logPoct/wat | 0.505 | Crippen Calculated Property | |
| McVol | 147.180 | ml/mol | McGowan Calculated Property |
| Pc | 4031.24 | kPa | Joback Calculated Property |
| Inp | [1735.70; 1735.70] |
|
|
| Inp | 1735.70 | NIST | |
| Inp | 1735.70 | NIST | |
| Tboil | 708.95 | K | Joback Calculated Property |
| Tc | 917.59 | K | Joback Calculated Property |
| Tfus | 486.10 | K | Joback Calculated Property |
| Vc | 0.496 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.98; 445.79] | J/mol×K | [708.95; 917.59] |
|
| Cp,gas | 394.98 | J/mol×K | 708.95 | Joback Calculated Property |
| Cp,gas | 404.64 | J/mol×K | 743.72 | Joback Calculated Property |
| Cp,gas | 413.76 | J/mol×K | 778.50 | Joback Calculated Property |
| Cp,gas | 422.39 | J/mol×K | 813.27 | Joback Calculated Property |
| Cp,gas | 430.57 | J/mol×K | 848.04 | Joback Calculated Property |
| Cp,gas | 438.35 | J/mol×K | 882.82 | Joback Calculated Property |
| Cp,gas | 445.79 | J/mol×K | 917.59 | Joback Calculated Property |
| η | [0.0000046; 0.0002007] | Pa×s | [486.10; 708.95] |
|
| η | 0.0002007 | Pa×s | 486.10 | Joback Calculated Property |
| η | 0.0000856 | Pa×s | 523.24 | Joback Calculated Property |
| η | 0.0000409 | Pa×s | 560.38 | Joback Calculated Property |
| η | 0.0000214 | Pa×s | 597.52 | Joback Calculated Property |
| η | 0.0000121 | Pa×s | 634.67 | Joback Calculated Property |
| η | 0.0000073 | Pa×s | 671.81 | Joback Calculated Property |
| η | 0.0000046 | Pa×s | 708.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanone, 1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-.
Sources
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