- InChI
- InChI=1S/C11H14O/c1-10(12)6-5-9-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9H2,1H3
- InChI Key
- DGMYRPFYNFQCHM-UHFFFAOYSA-N
- Formula
- C11H14O
- SMILES
- CC(=O)CCCc1ccccc1
- Molecular Weight1
- 162.23
- CAS
- 2235-83-8
- Other Names
-
- Methyl 3-phenylpropyl ketone
- 5-Phenyl-2-pentanone
- 5-phenylpentan-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).
- 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).
- 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° | 25.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -146.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.10 | kJ/mol | Joback Calculated Property |
| IE | 9.00 ± 0.10 | eV | NIST |
| log10WS | -2.81 | Crippen Calculated Property | |
| logPoct/wat | 2.598 | Crippen Calculated Property | |
| McVol | 143.660 | ml/mol | McGowan Calculated Property |
| Pc | 2829.33 | kPa | Joback Calculated Property |
| I | [1942.00; 1942.00] |
|
|
| I | 1942.00 | NIST | |
| I | 1942.00 | NIST | |
| Tboil | 531.63 | K | Joback Calculated Property |
| Tc | 743.09 | K | Joback Calculated Property |
| Tfus | 290.08 | K | Joback Calculated Property |
| Vc | 0.549 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [321.62; 397.96] | J/mol×K | [531.63; 743.09] |
|
| Cp,gas | 321.62 | J/mol×K | 531.63 | Joback Calculated Property |
| Cp,gas | 336.43 | J/mol×K | 566.87 | Joback Calculated Property |
| Cp,gas | 350.36 | J/mol×K | 602.12 | Joback Calculated Property |
| Cp,gas | 363.44 | J/mol×K | 637.36 | Joback Calculated Property |
| Cp,gas | 375.71 | J/mol×K | 672.61 | Joback Calculated Property |
| Cp,gas | 387.21 | J/mol×K | 707.85 | Joback Calculated Property |
| Cp,gas | 397.96 | J/mol×K | 743.09 | Joback Calculated Property |
| η | [0.0002439; 0.0031127] | Pa×s | [290.08; 531.63] |
|
| η | 0.0031127 | Pa×s | 290.08 | Joback Calculated Property |
| η | 0.0015721 | Pa×s | 330.34 | Joback Calculated Property |
| η | 0.0009211 | Pa×s | 370.60 | Joback Calculated Property |
| η | 0.0005992 | Pa×s | 410.86 | Joback Calculated Property |
| η | 0.0004210 | Pa×s | 451.11 | Joback Calculated Property |
| η | 0.0003133 | Pa×s | 491.37 | Joback Calculated Property |
| η | 0.0002439 | Pa×s | 531.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentanone, 5-phenyl-.
Sources
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