- InChI
- InChI=1S/C16H16O/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
- InChI Key
- GIVFXLVPKFXTCU-UHFFFAOYSA-N
- Formula
- C16H16O
- SMILES
- CC(CC(=O)c1ccccc1)c1ccccc1
- Molecular Weight1
- 224.30
- CAS
- 1533-20-6
- Other Names
-
- 1,3-Diphenyl-1-butanone
- 1-Butanone, 1,3-diphenyl-
- 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° | 177.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -18.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.12 | kJ/mol | Joback Calculated Property |
| log10WS | -4.55 | Crippen Calculated Property | |
| logPoct/wat | 4.063 | Crippen Calculated Property | |
| McVol | 190.350 | ml/mol | McGowan Calculated Property |
| Pc | 2448.32 | kPa | Joback Calculated Property |
| Tboil | 672.27 | K | Joback Calculated Property |
| Tc | 913.58 | K | Joback Calculated Property |
| Tfus | 357.85 | K | Joback Calculated Property |
| Vc | 0.716 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [492.92; 576.50] | J/mol×K | [672.27; 913.58] | 
|
| Cp,gas | 492.92 | J/mol×K | 672.27 | Joback Calculated Property |
| Cp,gas | 509.97 | J/mol×K | 712.49 | Joback Calculated Property |
| Cp,gas | 525.66 | J/mol×K | 752.71 | Joback Calculated Property |
| Cp,gas | 540.07 | J/mol×K | 792.92 | Joback Calculated Property |
| Cp,gas | 553.29 | J/mol×K | 833.14 | Joback Calculated Property |
| Cp,gas | 565.41 | J/mol×K | 873.36 | Joback Calculated Property |
| Cp,gas | 576.50 | J/mol×K | 913.58 | Joback Calculated Property |
| η | [0.0001446; 0.0024590] | Pa×s | [357.85; 672.27] |
|
| η | 0.0024590 | Pa×s | 357.85 | Joback Calculated Property |
| η | 0.0011342 | Pa×s | 410.25 | Joback Calculated Property |
| η | 0.0006234 | Pa×s | 462.66 | Joback Calculated Property |
| η | 0.0003870 | Pa×s | 515.06 | Joback Calculated Property |
| η | 0.0002624 | Pa×s | 567.46 | Joback Calculated Property |
| η | 0.0001900 | Pa×s | 619.87 | Joback Calculated Property |
| η | 0.0001446 | Pa×s | 672.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenylbutyrophenone.
Sources
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