- InChI
- InChI=1S/C12H14O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3
- InChI Key
- WAJQTBOWJRUOOO-UHFFFAOYSA-N
- Formula
- C12H14O2
- SMILES
- CC(=O)C(Cc1ccccc1)C(C)=O
- Molecular Weight1
- 190.24
- CAS
- 1134-87-8
- Other Names
-
- 2,4-Pentanedione, 3-benzyl-
- 3-Benzyl-2,4-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° | -97.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -284.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.69 | kJ/mol | Joback Calculated Property |
| log10WS | -2.27 | Crippen Calculated Property | |
| logPoct/wat | 2.023 | Crippen Calculated Property | |
| McVol | 159.320 | ml/mol | McGowan Calculated Property |
| Pc | 2755.56 | kPa | Joback Calculated Property |
| Tboil | 607.94 | K | Joback Calculated Property |
| Tc | 828.22 | K | Joback Calculated Property |
| Tfus | 336.28 | K | Joback Calculated Property |
| Vc | 0.606 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [387.83; 460.91] | J/mol×K | [607.94; 828.22] | 
|
| Cp,gas | 387.83 | J/mol×K | 607.94 | Joback Calculated Property |
| Cp,gas | 402.29 | J/mol×K | 644.65 | Joback Calculated Property |
| Cp,gas | 415.78 | J/mol×K | 681.37 | Joback Calculated Property |
| Cp,gas | 428.35 | J/mol×K | 718.08 | Joback Calculated Property |
| Cp,gas | 440.03 | J/mol×K | 754.79 | Joback Calculated Property |
| Cp,gas | 450.87 | J/mol×K | 791.50 | Joback Calculated Property |
| Cp,gas | 460.91 | J/mol×K | 828.22 | Joback Calculated Property |
| η | [0.0002237; 0.0032069] | Pa×s | [336.28; 607.94] |
|
| η | 0.0032069 | Pa×s | 336.28 | Joback Calculated Property |
| η | 0.0015812 | Pa×s | 381.56 | Joback Calculated Property |
| η | 0.0009058 | Pa×s | 426.83 | Joback Calculated Property |
| η | 0.0005774 | Pa×s | 472.11 | Joback Calculated Property |
| η | 0.0003983 | Pa×s | 517.39 | Joback Calculated Property |
| η | 0.0002916 | Pa×s | 562.66 | Joback Calculated Property |
| η | 0.0002237 | Pa×s | 607.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Pentanedione, 3-(phenylmethyl)-.
Sources
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