- InChI
- InChI=1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3
- InChI Key
- LUJMEECXHPYQOF-UHFFFAOYSA-N
- Formula
- C8H8O2
- SMILES
- CC(=O)c1cccc(O)c1
- Molecular Weight1
- 136.15
- CAS
- 121-71-1
- Other Names
-
- 1-(3-Hydroxyphenyl)ethan-1-one
- 1-(3-hydroxyphenyl)ethanone
- 3'-hydroxyacetophenone
- 3-Hydroxyacetophenone
- 3-acetylphenol
- 3-hydroxyphenyl methyl ketone
- NSC 2440
- acetophenone, 3'-hydroxy-
- m-acetylphenol
- m-hydroxyacetophenone
- phenol, 3-acetyl-
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Inp : Non-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 |
|---|---|---|---|
| PAff | 863.60 | kJ/mol | NIST |
| BasG | 831.80 | kJ/mol | NIST |
| ΔcH°solid | -3920.80 ± 4.20 | kJ/mol | NIST |
| ΔfG° | -154.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -261.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.36 | kJ/mol | Solid l... |
| ΔvapH° | 55.44 | kJ/mol | Joback Calculated Property |
| IE | 8.67 ± 0.05 | eV | 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 | [1358.10; 1438.50] |
|
|
| Inp | 1358.10 | NIST | |
| Inp | 1438.50 | NIST | |
| Inp | 1358.10 | NIST | |
| Tboil | 569.20 | K | NIST |
| Tc | 779.06 | K | Joback Calculated Property |
| Tfus | [365.40; 370.00] | K |
|
| Tfus | 369.00 ± 2.00 | K | NIST |
| Tfus | 369.00 ± 3.00 | K | NIST |
| Tfus | 367.00 ± 3.00 | K | NIST |
| Tfus | Outlier 365.40 ± 2.00 | K | NIST |
| Tfus | 369.00 ± 4.00 | K | NIST |
| Tfus | 367.90 ± 2.00 | K | NIST |
| Tfus | 370.00 ± 2.00 | K | NIST |
| Tfus | 370.00 ± 2.00 | K | NIST |
| Tfus | 367.40 ± 2.00 | 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 | 23.40 | kJ/mol | 366.70 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 426.20 | K | 0.70 | NIST |
Similar Compounds
Find more compounds similar to Ethanone, 1-(3-hydroxyphenyl)-.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Solid liquid equilibria for binary mixtures of N-phenylacetamide with 4-aminoacetophenone, 3-hydroxyacetophenone and 4-hydroxyacetophenone
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.