- InChI
- InChI=1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3
- InChI Key
- PCBSXBYCASFXTM-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- COc1ccc(CCC(C)=O)cc1
- Molecular Weight1
- 178.23
- CAS
- 104-20-1
- Other Names
-
- 2-Butanone, 4-(p-methoxyphenyl)-
- Anisylacetone
- ENT 20,279
- Raspberry ketone methyl ether
- 1-(p-Methoxyphenyl)-3-butanone
- 1-(4-Methoxyphenyl)-3-butanone
- 4-(p-Methoxyphenyl)-2-butanone
- 4-(4-Methoxyphenyl)-2-butanone
- Anisylacetone, p-
- 4-(4-Methoxyphenyl)-butan-2-one
- p-Methoxybenzylacetone
- 4-Methoxybenzylacetone
- NSC 405366
- 4-(4-Methoxyphenyl)-2-butanone (anisyl acetone)
- 1-(4-methoxyphenyl)-3-butanon
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ΔfG° | -89.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -290.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.17 | kJ/mol | Joback Calculated Property |
| log10WS | -2.51 | Crippen Calculated Property | |
| logPoct/wat | 2.217 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 2735.42 | kPa | Joback Calculated Property |
| Inp | [1462.00; 1473.00] |
|
|
| Inp | 1462.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1462.00 | NIST | |
| I | 2236.00 | NIST | |
| Tboil | 559.03 | K | Joback Calculated Property |
| Tc | 769.35 | K | Joback Calculated Property |
| Tfus | 324.83 | K | Joback Calculated Property |
| Vc | 0.568 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [346.15; 420.01] | J/mol×K | [559.03; 769.35] |
|
| Cp,gas | 346.15 | J/mol×K | 559.03 | Joback Calculated Property |
| Cp,gas | 360.31 | J/mol×K | 594.08 | Joback Calculated Property |
| Cp,gas | 373.70 | J/mol×K | 629.14 | Joback Calculated Property |
| Cp,gas | 386.36 | J/mol×K | 664.19 | Joback Calculated Property |
| Cp,gas | 398.29 | J/mol×K | 699.24 | Joback Calculated Property |
| Cp,gas | 409.50 | J/mol×K | 734.30 | Joback Calculated Property |
| Cp,gas | 420.01 | J/mol×K | 769.35 | Joback Calculated Property |
| η | [0.0001955; 0.0017437] | Pa×s | [324.83; 559.03] |
|
| η | 0.0017437 | Pa×s | 324.83 | Joback Calculated Property |
| η | 0.0009957 | Pa×s | 363.86 | Joback Calculated Property |
| η | 0.0006338 | Pa×s | 402.90 | Joback Calculated Property |
| η | 0.0004369 | Pa×s | 441.93 | Joback Calculated Property |
| η | 0.0003200 | Pa×s | 480.96 | Joback Calculated Property |
| η | 0.0002455 | Pa×s | 520.00 | Joback Calculated Property |
| η | 0.0001955 | Pa×s | 559.03 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 425.70 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Butanone, 4-(4-methoxyphenyl)-.
Sources
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