- InChI
- InChI=1S/C11H14O2/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8,12H,2-4H2,1H3
- InChI Key
- ZKCJJGOOPOIZTE-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- CCCCC(=O)c1ccc(O)cc1
- Molecular Weight1
- 178.23
- CAS
- 2589-71-1
- Other Names
-
- 1-(4-hydroxyphenyl)-1-pentanone
- 1-(4-hydroxyphenyl)pentan-1-one
- 4'-hydroxyvalerophenone
- 4-Valerylphenol
- Valerophenone, 4'-hydroxy-
- p-Valerylphenol
- p-hydroxyvalerophenone
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -129.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -323.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.12 | kJ/mol | Joback Calculated Property |
| log10WS | -2.94 | Crippen Calculated Property | |
| logPoct/wat | 2.765 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 3337.38 | kPa | Joback Calculated Property |
| Tboil | 612.25 | K | Joback Calculated Property |
| Tc | 834.48 | K | Joback Calculated Property |
| Tfus | 334.20 | K | Thermoc... |
| Vc | 0.515 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [374.39; 441.56] | J/mol×K | [612.25; 834.48] | 
|
| Cp,gas | 374.39 | J/mol×K | 612.25 | Joback Calculated Property |
| Cp,gas | 387.50 | J/mol×K | 649.29 | Joback Calculated Property |
| Cp,gas | 399.74 | J/mol×K | 686.33 | Joback Calculated Property |
| Cp,gas | 411.18 | J/mol×K | 723.37 | Joback Calculated Property |
| Cp,gas | 421.91 | J/mol×K | 760.40 | Joback Calculated Property |
| Cp,gas | 432.01 | J/mol×K | 797.44 | Joback Calculated Property |
| Cp,gas | 441.56 | J/mol×K | 834.48 | Joback Calculated Property |
| η | [0.0000363; 0.0012523] | Pa×s | [401.80; 612.25] |
|
| η | 0.0012523 | Pa×s | 401.80 | Joback Calculated Property |
| η | 0.0005477 | Pa×s | 436.88 | Joback Calculated Property |
| η | 0.0002709 | Pa×s | 471.95 | Joback Calculated Property |
| η | 0.0001477 | Pa×s | 507.02 | Joback Calculated Property |
| η | 0.0000871 | Pa×s | 542.10 | Joback Calculated Property |
| η | 0.0000548 | Pa×s | 577.17 | Joback Calculated Property |
| η | 0.0000363 | Pa×s | 612.25 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 455.70 | K | 0.40 | NIST |
Similar Compounds
Find more compounds similar to 1-Pentanone, 1-(4-hydroxyphenyl)-.
Sources
- Crippen Method
- Crippen Method
- Thermochemistry of 4-HOC6H4COR (R = H, CH3, C2H5, n-C3H7, n-C4H9, n-C5H11, and n-C6H13) compounds
- Joback Method
- McGowan Method
- NIST Webbook
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