- InChI
- InChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3
- InChI Key
- NJGBTKGETPDVIK-UHFFFAOYSA-N
- Formula
- C10H12O2
- SMILES
- CC(=O)CCc1ccc(O)cc1
- Molecular Weight1
- 164.20
- CAS
- 5471-51-2
- Other Names
-
- (p-Hydroxybenzyl)acetone
- 1-(4-Hydroxyphenyl)-3-butanone
- 1-(p-Hydroxyphenyl)-3-butanone
- 2-Butanone, 4-(p-hydroxyphenyl)-
- 4-(3-Oxobutyl)phenol
- 4-(4-Hydroxyphenyl)-2-butanone
- 4-(4-hydroxyphenyl)butan-2-one
- 4-(p-Hydroxyphenyl)-2-butanone
- 4-Hydroxybenzylacetone
- Frambinone
- NSC 26515
- Oxyphenalon
- Rheosmin
- raspberry ketone
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ΔfG° | -137.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -303.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.89 | kJ/mol | Joback Calculated Property |
| log10WS | -1.94 | Crippen Calculated Property | |
| logPoct/wat | 1.914 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Pc | 3740.80 | kPa | Joback Calculated Property |
| Inp | [1490.00; 1555.00] |
|
|
| Inp | 1554.00 | NIST | |
| Inp | 1555.00 | NIST | |
| Inp | 1550.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1498.00 | NIST | |
| I | [2952.00; 3000.00] |
|
|
| I | 2982.00 | NIST | |
| I | 2952.00 | NIST | |
| I | 3000.00 | NIST | |
| I | 2970.00 | NIST | |
| I | 3000.00 | NIST | |
| Tboil | 589.37 | K | Joback Calculated Property |
| Tc | 815.81 | K | Joback Calculated Property |
| Tfus | 355.00 | K | Solubil... |
| Vc | 0.460 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [327.20; 389.96] | J/mol×K | [589.37; 815.81] |
|
| Cp,gas | 327.20 | J/mol×K | 589.37 | Joback Calculated Property |
| Cp,gas | 339.55 | J/mol×K | 627.11 | Joback Calculated Property |
| Cp,gas | 351.04 | J/mol×K | 664.85 | Joback Calculated Property |
| Cp,gas | 361.74 | J/mol×K | 702.59 | Joback Calculated Property |
| Cp,gas | 371.74 | J/mol×K | 740.33 | Joback Calculated Property |
| Cp,gas | 381.12 | J/mol×K | 778.07 | Joback Calculated Property |
| Cp,gas | 389.96 | J/mol×K | 815.81 | Joback Calculated Property |
| η | [0.0000452; 0.0014890] | Pa×s | [390.53; 589.37] |
|
| η | 0.0014890 | Pa×s | 390.53 | Joback Calculated Property |
| η | 0.0006624 | Pa×s | 423.67 | Joback Calculated Property |
| η | 0.0003314 | Pa×s | 456.81 | Joback Calculated Property |
| η | 0.0001821 | Pa×s | 489.95 | Joback Calculated Property |
| η | 0.0001079 | Pa×s | 523.09 | Joback Calculated Property |
| η | 0.0000681 | Pa×s | 556.23 | Joback Calculated Property |
| η | 0.0000452 | Pa×s | 589.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanone, 4-(4-hydroxyphenyl)-.
Mixtures
- Ethanol + 2-Butanone, 4-(4-hydroxyphenyl)- + Water
- 2-Butanone, 4-(4-hydroxyphenyl)- + Water
- Ethanol + 2-Butanone, 4-(4-hydroxyphenyl)-
Sources
- Crippen Method
- Crippen Method
- Solubility Determination and Modeling and Dissolution Thermodynamic Properties of Raspberry Ketone in Binary Solvent Mixtures of Ethanol andWater
- Joback Method
- McGowan Method
- NIST Webbook
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