- 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-
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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.
- Ip : 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 |
|---|---|---|---|
| ω | 0.5648 | Relay (1.0) Calculated Property | |
| 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 | -292.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.30 ± 0.30 | kJ/mol | NIST |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.39 | Relay (1.0) 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 | 1140.00 | NIST | |
| Inp | 1135.60 | NIST | |
| Ip | [1709.00; 1747.00] |
|
|
| Ip | 1709.00 | NIST | |
| Ip | 1714.00 | NIST | |
| Ip | Outlier 1747.00 | NIST | |
| Ip | 1709.00 | NIST | |
| Ip | 1714.00 | NIST | |
| Ip | 1709.00 | NIST | |
| Tboil | 491.20 | K | NIST |
| Tc | 760.88 | K | Relay (1.0) Calculated Property |
| Tfus | [278.15; 301.15] | K |
|
| Tfus | 278.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 301.15 ± 1.00 | K | NIST |
| Vc | 0.372 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [135.75; 324.97] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.98500e+01 | |||
| Coefficient B | 8.11520e-01 | |||
| Coefficient C | -6.80260e-04 | |||
| Coefficient D | 2.33560e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 135.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 172.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 203.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 229.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 251.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 270.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 286.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 300.01 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 312.73 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 324.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0353575; 0.0000686] | Pa×s | [289.65; 545.54] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.66552e+01 | |||
| Coefficient B | 3.85611e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 289.65 | |||
| Temperature range, max. | 545.54 | |||
| η | 0.0353575 | Pa×s | 289.65 | Calculated Property |
| η | 0.0107565 | Pa×s | 318.08 | Calculated Property |
| η | 0.0039781 | Pa×s | 346.51 | Calculated Property |
| η | 0.0017108 | Pa×s | 374.95 | Calculated Property |
| η | 0.0008287 | Pa×s | 403.38 | Calculated Property |
| η | 0.0004416 | Pa×s | 431.81 | Calculated Property |
| η | 0.0002543 | Pa×s | 460.24 | Calculated Property |
| η | 0.0001562 | Pa×s | 488.67 | Calculated Property |
| η | 0.0001012 | Pa×s | 517.11 | Calculated Property |
| η | 0.0000686 | Pa×s | 545.54 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 1-(2-hydroxyphenyl)-.
Mixtures
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Analysis of solute-pyridine intermolecular interactions based on experimental enthalpies of solution and enthalpies of solvation of solutes dissolved in pyridine
- Solubility of ortho/para-Hydroxyacetophenones in Aqueous Solutions of Sodium Alkyl Benzene Sulfonate Hydrotropes
- Henry s Law Constants of Some Aromatic Aldehydes and Ketones Measured by an Internal Standard Method
- Joback Method
- McGowan Method
- NIST Webbook
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