- InChI
- InChI=1S/C12H16O/c1-3-4-5-11-6-8-12(9-7-11)10(2)13/h6-9H,3-5H2,1-2H3
- InChI Key
- MQESVSITPLILCO-UHFFFAOYSA-N
- Formula
- C12H16O
- SMILES
- CCCCc1ccc(C(C)=O)cc1
- Molecular Weight1
- 176.25
- CAS
- 37920-25-5
- Other Names
-
- Ethanone, 1-(4-butylphenyl)-
- p-Butylacetophenone
- 1-(4-butylphenyl)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).
- 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 |
|---|---|---|---|
| ω | 0.5602 | Relay (... Calculated Property | |
| ΔfG° | 24.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -197.25 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.20 | kJ/mol | Relay (... Calculated Property |
| IE | 9.15 | eV | Relay (... Calculated Property |
| log10WS | -3.89 | Relay (... Calculated Property | |
| logPoct/wat | 3.232 | Crippen Calculated Property | |
| McVol | 157.750 | ml/mol | McGowan Calculated Property |
| Pc | 2522.65 | kPa | Joback Calculated Property |
| Tboil | 544.58 | K | Relay (... Calculated Property |
| Tc | 742.81 | K | Relay (... Calculated Property |
| Tfus | 274.08 | K | Relay (... Calculated Property |
| Vc | 0.588 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.35; 447.57] | J/mol×K | [559.49; 768.65] | 
|
| Cp,gas | 368.35 | J/mol×K | 559.49 | Joback Calculated Property |
| Cp,gas | 383.60 | J/mol×K | 594.35 | Joback Calculated Property |
| Cp,gas | 398.00 | J/mol×K | 629.21 | Joback Calculated Property |
| Cp,gas | 411.56 | J/mol×K | 664.07 | Joback Calculated Property |
| Cp,gas | 424.32 | J/mol×K | 698.93 | Joback Calculated Property |
| Cp,gas | 436.31 | J/mol×K | 733.79 | Joback Calculated Property |
| Cp,gas | 447.57 | J/mol×K | 768.65 | Joback Calculated Property |
| η | [0.0002212; 0.0022825] | Pa×s | [313.87; 559.49] |
|
| η | 0.0022825 | Pa×s | 313.87 | Joback Calculated Property |
| η | 0.0012360 | Pa×s | 354.81 | Joback Calculated Property |
| η | 0.0007598 | Pa×s | 395.74 | Joback Calculated Property |
| η | 0.0005117 | Pa×s | 436.68 | Joback Calculated Property |
| η | 0.0003688 | Pa×s | 477.62 | Joback Calculated Property |
| η | 0.0002799 | Pa×s | 518.55 | Joback Calculated Property |
| η | 0.0002212 | Pa×s | 559.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-n-Butylacetophenone.
Sources
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