- InChI
- InChI=1S/C10H10O2/c1-8(11)10(12)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
- InChI Key
- WZLKRAJHCPNZAA-UHFFFAOYSA-N
- Formula
- C10H10O2
- SMILES
- CC(=O)C(=O)Cc1ccccc1
- Molecular Weight1
- 162.19
- Other Names
-
- 1-phenylbutane-2, 3-dione
- 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° | -112.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -238.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.62 | kJ/mol | Joback Calculated Property |
| log10WS | -1.67 | Crippen Calculated Property | |
| logPoct/wat | 1.387 | Crippen Calculated Property | |
| McVol | 131.140 | ml/mol | McGowan Calculated Property |
| Pc | 3376.28 | kPa | Joback Calculated Property |
| Inp | [1211.00; 1230.00] |
|
|
| Inp | 1211.00 | NIST | |
| Inp | 1230.00 | NIST | |
| Inp | 1212.00 | NIST | |
| Inp | 1230.00 | NIST | |
| Inp | 1212.00 | NIST | |
| Inp | 1211.00 | NIST | |
| I | [2003.00; 2003.00] |
|
|
| I | 2003.00 | NIST | |
| I | 2003.00 | NIST | |
| Tboil | 562.62 | K | Joback Calculated Property |
| Tc | 786.27 | K | Joback Calculated Property |
| Tfus | 328.74 | K | Joback Calculated Property |
| Vc | 0.499 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [293.17; 356.75] | J/mol×K | [562.62; 786.27] |
|
| Cp,gas | 293.17 | J/mol×K | 562.62 | Joback Calculated Property |
| Cp,gas | 305.78 | J/mol×K | 599.90 | Joback Calculated Property |
| Cp,gas | 317.53 | J/mol×K | 637.17 | Joback Calculated Property |
| Cp,gas | 328.47 | J/mol×K | 674.45 | Joback Calculated Property |
| Cp,gas | 338.63 | J/mol×K | 711.72 | Joback Calculated Property |
| Cp,gas | 348.04 | J/mol×K | 749.00 | Joback Calculated Property |
| Cp,gas | 356.75 | J/mol×K | 786.27 | Joback Calculated Property |
| η | [0.0002832; 0.0026820] | Pa×s | [328.74; 562.62] |
|
| η | 0.0026820 | Pa×s | 328.74 | Joback Calculated Property |
| η | 0.0015118 | Pa×s | 367.72 | Joback Calculated Property |
| η | 0.0009511 | Pa×s | 406.70 | Joback Calculated Property |
| η | 0.0006489 | Pa×s | 445.68 | Joback Calculated Property |
| η | 0.0004708 | Pa×s | 484.66 | Joback Calculated Property |
| η | 0.0003583 | Pa×s | 523.64 | Joback Calculated Property |
| η | 0.0002832 | Pa×s | 562.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-phenyl-2,3-butanedione.
Sources
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