- InChI
- InChI=1S/C10H10O3/c1-7(11)9-3-5-10(6-4-9)13-8(2)12/h3-6H,1-2H3
- InChI Key
- SMIOEQSLJNNKQF-UHFFFAOYSA-N
- Formula
- C10H10O3
- SMILES
- CC(=O)Oc1ccc(C(C)=O)cc1
- Molecular Weight1
- 178.18
- CAS
- 13031-43-1
- Other Names
-
- 4-CH3COO-C6H4-COCH3
- 4-acetylphenyl acetate
- Ethanone, 1-[4-(acetyloxy)phenyl]-
- p-acetoxyacetophenone
- p-acetylphenyl acetate
- para-acetoxyacetophenone
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 | 0.5804 | Relay (1.0) Calculated Property | |
| PAff | 853.20 | kJ/mol | NIST |
| BasG | 821.30 | kJ/mol | NIST |
| ΔfG° | -303.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -473.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.814 | Crippen Calculated Property | |
| McVol | 137.010 | ml/mol | McGowan Calculated Property |
| Pc | 3107.10 | kPa | Joback Calculated Property |
| Tboil | 540.14 | K | Relay (1.0) Calculated Property |
| Tc | 751.68 | K | Relay (1.0) Calculated Property |
| Tfus | 324.10 | K | Vapour pressures and phase transition properties of four substituted acetophenones |
| Vc | 0.511 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [312.59; 375.39] | J/mol×K | [572.15; 791.71] | 
|
| Cp,gas | 312.59 | J/mol×K | 572.15 | Joback Calculated Property |
| Cp,gas | 324.98 | J/mol×K | 608.74 | Joback Calculated Property |
| Cp,gas | 336.59 | J/mol×K | 645.34 | Joback Calculated Property |
| Cp,gas | 347.42 | J/mol×K | 681.93 | Joback Calculated Property |
| Cp,gas | 357.49 | J/mol×K | 718.52 | Joback Calculated Property |
| Cp,gas | 366.80 | J/mol×K | 755.11 | Joback Calculated Property |
| Cp,gas | 375.39 | J/mol×K | 791.71 | Joback Calculated Property |
| η | [0.0002058; 0.0021285] | Pa×s | [333.66; 572.15] |
|
| η | 0.0021285 | Pa×s | 333.66 | Joback Calculated Property |
| η | 0.0011721 | Pa×s | 373.41 | Joback Calculated Property |
| η | 0.0007240 | Pa×s | 413.16 | Joback Calculated Property |
| η | 0.0004866 | Pa×s | 452.90 | Joback Calculated Property |
| η | 0.0003487 | Pa×s | 492.65 | Joback Calculated Property |
| η | 0.0002627 | Pa×s | 532.40 | Joback Calculated Property |
| η | 0.0002058 | Pa×s | 572.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Acetoxyacetophenone.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapour pressures and phase transition properties of four substituted acetophenones
- Joback Method
- McGowan Method
- NIST Webbook
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