- InChI
- InChI=1S/C12H16O2/c1-3-4-9-14-12-7-5-11(6-8-12)10(2)13/h5-8H,3-4,9H2,1-2H3
- InChI Key
- YYLCJWIQUFHYMY-UHFFFAOYSA-N
- Formula
- C12H16O2
- SMILES
- CCCCOc1ccc(C(C)=O)cc1
- Molecular Weight1
- 192.25
- CAS
- 5736-89-0
- Other Names
-
- 4-n-Butoxyacetophenone
- p-Butoxyacetophenone
- Ethanone, 1-(4-butoxyphenyl)-
- Acetophenone, 4'-butoxy-
- 1-(4-butoxyphenyl)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).
- 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 | 0.6233 | Relay (1.0) Calculated Property | |
| ΔfG° | -80.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -331.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.068 | Crippen Calculated Property | |
| McVol | 163.620 | ml/mol | McGowan Calculated Property |
| Pc | 2480.12 | kPa | Joback Calculated Property |
| Tboil | 559.86 | K | Relay (1.0) Calculated Property |
| Tc | 757.80 | K | Relay (1.0) Calculated Property |
| Tfus | 306.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.609 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.86; 471.68] | J/mol×K | [582.11; 789.17] | 
|
| Cp,gas | 393.86 | J/mol×K | 582.11 | Joback Calculated Property |
| Cp,gas | 408.78 | J/mol×K | 616.62 | Joback Calculated Property |
| Cp,gas | 422.90 | J/mol×K | 651.13 | Joback Calculated Property |
| Cp,gas | 436.23 | J/mol×K | 685.64 | Joback Calculated Property |
| Cp,gas | 448.80 | J/mol×K | 720.15 | Joback Calculated Property |
| Cp,gas | 460.61 | J/mol×K | 754.66 | Joback Calculated Property |
| Cp,gas | 471.68 | J/mol×K | 789.17 | Joback Calculated Property |
| η | [0.0001801; 0.0017122] | Pa×s | [336.10; 582.11] |
|
| η | 0.0017122 | Pa×s | 336.10 | Joback Calculated Property |
| η | 0.0009593 | Pa×s | 377.10 | Joback Calculated Property |
| η | 0.0006021 | Pa×s | 418.10 | Joback Calculated Property |
| η | 0.0004107 | Pa×s | 459.10 | Joback Calculated Property |
| η | 0.0002983 | Pa×s | 500.11 | Joback Calculated Property |
| η | 0.0002274 | Pa×s | 541.11 | Joback Calculated Property |
| η | 0.0001801 | Pa×s | 582.11 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 445.50 ± 0.50 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to 4'-Butoxyacetophenone.
Sources
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