- InChI
- InChI=1S/C10H12O2/c1-8(11)10(12)7-9-5-3-2-4-6-9/h2-6,10,12H,7H2,1H3
- InChI Key
- QBCUUJGHWFKMDC-UHFFFAOYSA-N
- Formula
- C10H12O2
- SMILES
- CC(=O)C(O)Cc1ccccc1
- Molecular Weight1
- 164.20
- CAS
- 5355-63-5
- Other Names
-
- 4-phenyl-3-hydroxybutan-2-one
- 2-Hydroxy-1-phenylbutan-3-one
- 2-Butanone, 3-hydroxy-4-phenyl
- 3-hydroxy-4-phenylbutan-2-one
- 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° | -122.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -283.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.17 | kJ/mol | Joback Calculated Property |
| log10WS | -1.77 | Crippen Calculated Property | |
| logPoct/wat | 1.179 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Pc | 3526.27 | kPa | Joback Calculated Property |
| Inp | [1348.00; 1375.00] |
|
|
| Inp | 1348.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1360.00 | NIST | |
| Inp | 1375.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Inp | 1348.00 | NIST | |
| I | [2256.00; 2260.00] |
|
|
| I | 2260.00 | NIST | |
| I | 2259.00 | NIST | |
| I | 2256.00 | NIST | |
| I | 2260.00 | NIST | |
| Tboil | 600.49 | K | Joback Calculated Property |
| Tc | 804.72 | K | Joback Calculated Property |
| Tfus | 324.63 | K | Joback Calculated Property |
| Vc | 0.506 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [328.11; 387.38] | J/mol×K | [600.49; 804.72] |
|
| Cp,gas | 328.11 | J/mol×K | 600.49 | Joback Calculated Property |
| Cp,gas | 339.69 | J/mol×K | 634.53 | Joback Calculated Property |
| Cp,gas | 350.55 | J/mol×K | 668.57 | Joback Calculated Property |
| Cp,gas | 360.71 | J/mol×K | 702.61 | Joback Calculated Property |
| Cp,gas | 370.22 | J/mol×K | 736.64 | Joback Calculated Property |
| Cp,gas | 379.10 | J/mol×K | 770.68 | Joback Calculated Property |
| Cp,gas | 387.38 | J/mol×K | 804.72 | Joback Calculated Property |
| η | [0.0000861; 0.0090484] | Pa×s | [324.63; 600.49] |
|
| η | 0.0090484 | Pa×s | 324.63 | Joback Calculated Property |
| η | 0.0025745 | Pa×s | 370.61 | Joback Calculated Property |
| η | 0.0009668 | Pa×s | 416.58 | Joback Calculated Property |
| η | 0.0004411 | Pa×s | 462.56 | Joback Calculated Property |
| η | 0.0002319 | Pa×s | 508.54 | Joback Calculated Property |
| η | 0.0001356 | Pa×s | 554.51 | Joback Calculated Property |
| η | 0.0000861 | Pa×s | 600.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-hydroxy-4-phenyl-2-butanone.
Sources
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