- InChI
- InChI=1S/C12H14O3/c1-9(13)3-4-11-5-7-12(8-6-11)15-10(2)14/h5-8H,3-4H2,1-2H3
- InChI Key
- UMIKWXDGXDJQJK-UHFFFAOYSA-N
- Formula
- C12H14O3
- SMILES
- CC(=O)CCc1ccc(OC(C)=O)cc1
- Molecular Weight1
- 206.24
- CAS
- 3572-06-3
- Other Names
-
- p-(3-Oxobutyl)phenyl acetate
- 2-Butanone, 4-[4-(acetyloxy)phenyl]-
- para-(2-Acetylethyl)phenyl acetate
- Q-Lure
- Acetate of 4-(hydroxyphenyl)-2-butanone
- Cue-lure
- ENT-32833
- Pherocon QFF
- 2-Butanone, 4-(p-hydroxyphenyl)-, acetate
- 4-(p-Hydroxyphenyl)-2-butanone, acetate
- 4-(4-Acetoxyphenyl)-2-butanone
- NSC 39438
- 4-(3-oxobutyl)phenyl acetate
- 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).
- 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° | -209.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -423.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.15 | kJ/mol | Joback Calculated Property |
| log10WS | -2.71 | Crippen Calculated Property | |
| logPoct/wat | 2.133 | Crippen Calculated Property | |
| McVol | 165.190 | ml/mol | McGowan Calculated Property |
| Pc | 2643.39 | kPa | Joback Calculated Property |
| Tboil | 635.78 | K | Joback Calculated Property |
| Tc | 849.97 | K | Joback Calculated Property |
| Tfus | 386.03 | K | Joback Calculated Property |
| Vc | 0.629 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [411.51; 480.98] | J/mol×K | [635.78; 849.97] | 
|
| Cp,gas | 411.51 | J/mol×K | 635.78 | Joback Calculated Property |
| Cp,gas | 425.11 | J/mol×K | 671.48 | Joback Calculated Property |
| Cp,gas | 437.88 | J/mol×K | 707.18 | Joback Calculated Property |
| Cp,gas | 449.83 | J/mol×K | 742.87 | Joback Calculated Property |
| Cp,gas | 460.99 | J/mol×K | 778.57 | Joback Calculated Property |
| Cp,gas | 471.37 | J/mol×K | 814.27 | Joback Calculated Property |
| Cp,gas | 480.98 | J/mol×K | 849.97 | Joback Calculated Property |
| η | [0.0001888; 0.0015002] | Pa×s | [386.03; 635.78] |
|
| η | 0.0015002 | Pa×s | 386.03 | Joback Calculated Property |
| η | 0.0008976 | Pa×s | 427.66 | Joback Calculated Property |
| η | 0.0005883 | Pa×s | 469.28 | Joback Calculated Property |
| η | 0.0004131 | Pa×s | 510.90 | Joback Calculated Property |
| η | 0.0003059 | Pa×s | 552.53 | Joback Calculated Property |
| η | 0.0002363 | Pa×s | 594.15 | Joback Calculated Property |
| η | 0.0001888 | Pa×s | 635.78 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 396.70 | K | 0.03 | NIST |
Similar Compounds
Find more compounds similar to 4-(p-Acetoxyphenyl)-2-butanone.
Sources
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