- InChI
- InChI=1S/C9H10O2/c1-6-5-8(7(2)10)3-4-9(6)11/h3-5,11H,1-2H3
- InChI Key
- LXBHHIZIQVZGFN-UHFFFAOYSA-N
- Formula
- C9H10O2
- SMILES
- CC(=O)c1ccc(O)c(C)c1
- Molecular Weight1
- 150.17
- CAS
- 876-02-8
- Other Names
-
- 4'-Hydroxy-3'-methylacetophenone
- Ethanone, 1-(4-hydroxy-3-methylphenyl)-
- 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° | -155.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -293.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.33 | kJ/mol | Joback Calculated Property |
| log10WS | -2.16 | Crippen Calculated Property | |
| logPoct/wat | 1.903 | Crippen Calculated Property | |
| McVol | 121.350 | ml/mol | McGowan Calculated Property |
| Pc | 4140.93 | kPa | Joback Calculated Property |
| Inp | [1292.00; 1323.00] |
|
|
| Inp | 1323.00 | NIST | |
| Inp | 1292.00 | NIST | |
| Inp | 1322.00 | NIST | |
| Inp | 1323.00 | NIST | |
| I | 2241.00 | NIST | |
| Tboil | 571.47 | K | Joback Calculated Property |
| Tc | 803.40 | K | Joback Calculated Property |
| Tfus | 382.00 ± 2.00 | K | NIST |
| Vc | 0.404 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.73; 337.51] | J/mol×K | [571.47; 803.40] |
|
| Cp,gas | 280.73 | J/mol×K | 571.47 | Joback Calculated Property |
| Cp,gas | 291.91 | J/mol×K | 610.13 | Joback Calculated Property |
| Cp,gas | 302.30 | J/mol×K | 648.78 | Joback Calculated Property |
| Cp,gas | 311.98 | J/mol×K | 687.44 | Joback Calculated Property |
| Cp,gas | 321.02 | J/mol×K | 726.09 | Joback Calculated Property |
| Cp,gas | 329.51 | J/mol×K | 764.75 | Joback Calculated Property |
| Cp,gas | 337.51 | J/mol×K | 803.40 | Joback Calculated Property |
| η | [0.0000533; 0.0012185] | Pa×s | [391.78; 571.47] |
|
| η | 0.0012185 | Pa×s | 391.78 | Joback Calculated Property |
| η | 0.0006010 | Pa×s | 421.73 | Joback Calculated Property |
| η | 0.0003256 | Pa×s | 451.68 | Joback Calculated Property |
| η | 0.0001903 | Pa×s | 481.62 | Joback Calculated Property |
| η | 0.0001185 | Pa×s | 511.57 | Joback Calculated Property |
| η | 0.0000777 | Pa×s | 541.52 | Joback Calculated Property |
| η | 0.0000533 | Pa×s | 571.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxy-3-methylacetophenone.
Sources
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