- InChI
- InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2
- InChI Key
- ZWVHTXAYIKBMEE-UHFFFAOYSA-N
- Formula
- C8H8O2
- SMILES
- O=C(CO)c1ccccc1
- Molecular Weight1
- 136.15
- Other Names
-
- (hydroxyacetyl)benzene
- .alpha.-Hydroxyacetophenone
- 2-Hydroxy-phenylethanone
- 2-hydroxy-1-phenylethan-1-one
- 2-hydroxy-1-phenylethanone
- Acetophenone, 2-hydroxy-
- Acetophenone, alpha-hydroxy-
- Acetophenone, «alpha»-hydroxy-
- Benzoylcarbinol
- Glycolophenone
- Methanol, benzoyl-
- NSC 171232
- Phenacyl alcohol
- alpha-Hydroxyacetophenone
- benzoylmethanol
- hydroxymethyl phenyl ketone
- «alpha»-Hydroxyacetophenone
- «omega»-Hydroxyacetophenone
- ω : Acentric Factor.
- 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).
- 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).
- Ip : 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 |
|---|---|---|---|
| ω | 0.6508 | Relay (1.0) Calculated Property | |
| ΔfG° | -136.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -243.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 ± 0.05 | eV | NIST |
| log10WS | -1.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.862 | Crippen Calculated Property | |
| McVol | 107.260 | ml/mol | McGowan Calculated Property |
| Pc | 4444.44 | kPa | Joback Calculated Property |
| Ip | [1762.00; 1771.00] |
|
|
| Ip | 1762.00 | NIST | |
| Ip | 1771.00 | NIST | |
| Ip | 1762.00 | NIST | |
| Tboil | 527.82 | K | Relay (1.0) Calculated Property |
| Tc | 783.59 | K | Relay (1.0) Calculated Property |
| Tfus | 278.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.376 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [131.36; 321.22] | 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 | -2.56390e+01 | |||
| Coefficient B | 6.90900e-01 | |||
| Coefficient C | -4.54300e-04 | |||
| Coefficient D | 1.10260e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 131.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 166.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 197.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 224.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 248.14 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 268.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 285.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 299.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 311.22 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 321.22 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0307924; 0.0001588] | Pa×s | [278.15; 533.22] |
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 | -1.44922e+01 | |||
| Coefficient B | 3.06292e+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. | 278.15 | |||
| Temperature range, max. | 533.22 | |||
| η | 0.0307924 | Pa×s | 278.15 | Calculated Property |
| η | 0.0111228 | Pa×s | 306.49 | Calculated Property |
| η | 0.0047736 | Pa×s | 334.83 | Calculated Property |
| η | 0.0023379 | Pa×s | 363.17 | Calculated Property |
| η | 0.0012696 | Pa×s | 391.52 | Calculated Property |
| η | 0.0007487 | Pa×s | 419.86 | Calculated Property |
| η | 0.0004721 | Pa×s | 448.20 | Calculated Property |
| η | 0.0003144 | Pa×s | 476.54 | Calculated Property |
| η | 0.0002192 | Pa×s | 504.88 | Calculated Property |
| η | 0.0001588 | Pa×s | 533.22 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxyacetophenone.
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
- Effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations
- Joback Method
- McGowan Method
- NIST Webbook
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