- InChI
- InChI=1S/C12H16O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9H,8H2,1-3H3
- InChI Key
- KEAGRYYGYWZVPC-UHFFFAOYSA-N
- Formula
- C12H16O
- SMILES
- CC(=O)c1ccc(CC(C)C)cc1
- Molecular Weight1
- 176.26
- Other Names
-
- p-iso-Butylacetophenone
- 4-Isobutylacetophenone
- Ethanone, 1-[4-(2-methylpropyl)phenyl]-
- Acetophenone, 4-isobutyl-
- 4'-Isobutylacetophenone
- 1-[4-(2-methylpropyl)phenyl]ethan-1-one
- ω : Acentric Factor.
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ω | 0.5263 | Relay (1.0) Calculated Property | |
| ΔfG° | 21.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -211.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.088 | Crippen Calculated Property | |
| McVol | 157.750 | ml/mol | McGowan Calculated Property |
| Pc | 2543.05 | kPa | Joback Calculated Property |
| Inp | 1411.00 | NIST | |
| Tboil | 535.68 | K | Relay (1.0) Calculated Property |
| Tc | 739.23 | K | Relay (1.0) Calculated Property |
| Tfus | 291.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.579 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.78; 449.68] | J/mol×K | [559.25; 773.00] | 
|
| Cp,gas | 368.78 | J/mol×K | 559.25 | Joback Calculated Property |
| Cp,gas | 384.43 | J/mol×K | 594.88 | Joback Calculated Property |
| Cp,gas | 399.17 | J/mol×K | 630.50 | Joback Calculated Property |
| Cp,gas | 413.03 | J/mol×K | 666.13 | Joback Calculated Property |
| Cp,gas | 426.04 | J/mol×K | 701.75 | Joback Calculated Property |
| Cp,gas | 438.25 | J/mol×K | 737.38 | Joback Calculated Property |
| Cp,gas | 449.68 | J/mol×K | 773.00 | Joback Calculated Property |
| η | [0.0002073; 0.0029584] | Pa×s | [298.87; 559.25] |
|
| η | 0.0029584 | Pa×s | 298.87 | Joback Calculated Property |
| η | 0.0014343 | Pa×s | 342.27 | Joback Calculated Property |
| η | 0.0008184 | Pa×s | 385.66 | Joback Calculated Property |
| η | 0.0005231 | Pa×s | 429.06 | Joback Calculated Property |
| η | 0.0003630 | Pa×s | 472.46 | Joback Calculated Property |
| η | 0.0002679 | Pa×s | 515.85 | Joback Calculated Property |
| η | 0.0002073 | Pa×s | 559.25 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 407.50 ± 0.50 | K | 2.10 | NIST |
Similar Compounds
Find more compounds similar to p-Isobutylacetophenone.
Sources
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