- InChI
- InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3
- InChI Key
- JECYUBVRTQDVAT-UHFFFAOYSA-N
- Formula
- C8H8O2
- SMILES
- CC(=O)c1ccccc1O
- Molecular Weight1
- 136.15
- CAS
- 118-93-4
- Other Names
-
- 1-(2-hydroxyphenyl)ethanone
- 2'-hydroxyacetophenone
- 2-Hydroxyacetylbenzene
- 2-acetylphenol
- 2-hydroxyphenyl methyl ketone
- Acetophenone, o-hydroxy-
- Methyl 2-hydroxyphenyl ketone
- NSC 16933
- USAF KE-20
- acetophenone, 2'-hydroxy-
- o-Acetylphenol
- o-Hydroxyacetophenone
- o-Hydroxyphenyl methyl ketone
- phenol, 2-acetyl-
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔcH°solid | -3933.80 ± 3.80 | kJ/mol | NIST |
| EA | 0.85 ± 0.05 | eV | NIST |
| ΔfG° | -154.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -261.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.30 ± 0.30 | kJ/mol | NIST |
| log10WS | -1.68 | Crippen Calculated Property | |
| logPoct/wat | 1.595 | Crippen Calculated Property | |
| McVol | 107.260 | ml/mol | McGowan Calculated Property |
| Pc | 4802.50 | kPa | Joback Calculated Property |
| Inp | [1124.00; 1167.00] |
|
|
| Inp | 1135.60 | NIST | |
| Inp | 1139.10 | NIST | |
| Inp | 1152.50 | NIST | |
| Inp | 1162.70 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1167.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | 1136.00 | NIST | |
| Inp | 1135.60 | NIST | |
| I | [1709.00; 1747.00] |
|
|
| I | 1709.00 | NIST | |
| I | 1714.00 | NIST | |
| I | Outlier 1747.00 | NIST | |
| I | 1709.00 | NIST | |
| I | 1714.00 | NIST | |
| I | 1709.00 | NIST | |
| Tboil | 491.20 | K | NIST |
| Tc | 779.06 | K | Joback Calculated Property |
| Tfus | 301.15 ± 1.00 | K | NIST |
| Vc | 0.347 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.80; 289.93] | J/mol×K | [543.61; 779.06] |
|
| Cp,gas | 237.80 | J/mol×K | 543.61 | Joback Calculated Property |
| Cp,gas | 248.30 | J/mol×K | 582.85 | Joback Calculated Property |
| Cp,gas | 257.96 | J/mol×K | 622.09 | Joback Calculated Property |
| Cp,gas | 266.87 | J/mol×K | 661.33 | Joback Calculated Property |
| Cp,gas | 275.11 | J/mol×K | 700.57 | Joback Calculated Property |
| Cp,gas | 282.77 | J/mol×K | 739.81 | Joback Calculated Property |
| Cp,gas | 289.93 | J/mol×K | 779.06 | Joback Calculated Property |
| η | [0.0000704; 0.0020779] | Pa×s | [367.99; 543.61] |
|
| η | 0.0020779 | Pa×s | 367.99 | Joback Calculated Property |
| η | 0.0009601 | Pa×s | 397.26 | Joback Calculated Property |
| η | 0.0004932 | Pa×s | 426.53 | Joback Calculated Property |
| η | 0.0002760 | Pa×s | 455.80 | Joback Calculated Property |
| η | 0.0001656 | Pa×s | 485.07 | Joback Calculated Property |
| η | 0.0001054 | Pa×s | 514.34 | Joback Calculated Property |
| η | 0.0000704 | Pa×s | 543.61 | Joback Calculated Property |
| ΔfusH | 13.00 | kJ/mol | 278.50 | NIST |
| ΔvapH | 58.30 | kJ/mol | 430.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [379.20; 486.20] | K | [2.30; 95.60] |
|
| Tboilr | 379.20 | K | 2.30 | NIST |
| Tboilr | 486.20 | K | 95.60 | NIST |
Similar Compounds
Find more compounds similar to Ethanone, 1-(2-hydroxyphenyl)-.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Solubility of ortho/para-Hydroxyacetophenones in Aqueous Solutions of Sodium Alkyl Benzene Sulfonate Hydrotropes
- Joback Method
- McGowan Method
- NIST Webbook
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that the value is more than 2 standard deviations away from the
property mean.