- InChI
- InChI=1S/C11H12O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
- InChI Key
- RBLXWIPBPPVLPU-UHFFFAOYSA-N
- Formula
- C11H12O2
- SMILES
- CC(=O)CCC(=O)c1ccccc1
- Molecular Weight1
- 176.21
- CAS
- 583-05-1
- Other Names
-
- 1-Phenyl-1,4-pentanedione
- 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).
- 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° | -103.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -259.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.85 | kJ/mol | Joback Calculated Property |
| log10WS | -2.67 | Crippen Calculated Property | |
| logPoct/wat | 2.239 | Crippen Calculated Property | |
| McVol | 145.230 | ml/mol | McGowan Calculated Property |
| Pc | 3028.94 | kPa | Joback Calculated Property |
| Tboil | 585.50 | K | Joback Calculated Property |
| Tc | 805.11 | K | Joback Calculated Property |
| Tfus | 340.01 | K | Joback Calculated Property |
| Vc | 0.555 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [339.46; 407.41] | J/mol×K | [585.50; 805.11] | 
|
| Cp,gas | 339.46 | J/mol×K | 585.50 | Joback Calculated Property |
| Cp,gas | 352.88 | J/mol×K | 622.10 | Joback Calculated Property |
| Cp,gas | 365.41 | J/mol×K | 658.70 | Joback Calculated Property |
| Cp,gas | 377.09 | J/mol×K | 695.31 | Joback Calculated Property |
| Cp,gas | 387.96 | J/mol×K | 731.91 | Joback Calculated Property |
| Cp,gas | 398.06 | J/mol×K | 768.51 | Joback Calculated Property |
| Cp,gas | 407.41 | J/mol×K | 805.11 | Joback Calculated Property |
| η | [0.0002618; 0.0026331] | Pa×s | [340.01; 585.50] |
|
| η | 0.0026331 | Pa×s | 340.01 | Joback Calculated Property |
| η | 0.0014576 | Pa×s | 380.93 | Joback Calculated Property |
| η | 0.0009050 | Pa×s | 421.84 | Joback Calculated Property |
| η | 0.0006113 | Pa×s | 462.75 | Joback Calculated Property |
| η | 0.0004401 | Pa×s | 503.67 | Joback Calculated Property |
| η | 0.0003329 | Pa×s | 544.59 | Joback Calculated Property |
| η | 0.0002618 | Pa×s | 585.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Pentanedione, 1-phenyl-.
Sources
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