- InChI
- InChI=1S/C9H10O3/c1-5-8(11)4-3-7(6(2)10)9(5)12/h3-4,11-12H,1-2H3
- InChI Key
- KMTLZBUHQPQFAV-UHFFFAOYSA-N
- Formula
- C9H10O3
- SMILES
- CC(=O)c1ccc(O)c(C)c1O
- Molecular Weight1
- 166.17
- CAS
- 10139-84-1
- Other Names
-
- 1-(2,4-Dihydroxy-3-methylphenyl)ethanone
- 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).
- 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° | -310.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -471.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.34 | kJ/mol | Joback Calculated Property |
| log10WS | -1.70 | Crippen Calculated Property | |
| logPoct/wat | 1.609 | Crippen Calculated Property | |
| McVol | 127.220 | ml/mol | McGowan Calculated Property |
| Pc | 5065.79 | kPa | Joback Calculated Property |
| I | [1893.00; 1893.00] |
|
|
| I | 1893.00 | NIST | |
| I | 1893.00 | NIST | |
| Tboil | 652.09 | K | Joback Calculated Property |
| Tc | 893.33 | K | Joback Calculated Property |
| Tfus | 503.50 | K | Joback Calculated Property |
| Vc | 0.369 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.95; 374.17] | J/mol×K | [652.09; 893.33] |
|
| Cp,gas | 322.95 | J/mol×K | 652.09 | Joback Calculated Property |
| Cp,gas | 332.56 | J/mol×K | 692.30 | Joback Calculated Property |
| Cp,gas | 341.55 | J/mol×K | 732.50 | Joback Calculated Property |
| Cp,gas | 350.07 | J/mol×K | 772.71 | Joback Calculated Property |
| Cp,gas | 358.26 | J/mol×K | 812.91 | Joback Calculated Property |
| Cp,gas | 366.25 | J/mol×K | 853.12 | Joback Calculated Property |
| Cp,gas | 374.17 | J/mol×K | 893.33 | Joback Calculated Property |
| η | [0.0000040; 0.0000729] | Pa×s | [503.50; 652.09] |
|
| η | 0.0000729 | Pa×s | 503.50 | Joback Calculated Property |
| η | 0.0000401 | Pa×s | 528.26 | Joback Calculated Property |
| η | 0.0000233 | Pa×s | 553.03 | Joback Calculated Property |
| η | 0.0000142 | Pa×s | 577.80 | Joback Calculated Property |
| η | 0.0000090 | Pa×s | 602.56 | Joback Calculated Property |
| η | 0.0000059 | Pa×s | 627.33 | Joback Calculated Property |
| η | 0.0000040 | Pa×s | 652.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2',4'-Dihydroxy-3'-methylacetophenone.
Sources
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