- InChI
- InChI=1S/C16H14O4/c1-12(17)19-11-16(18)20-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
- InChI Key
- ILJICPLAOFRHIH-UHFFFAOYSA-N
- Formula
- C16H14O4
- SMILES
-
CC(=O)OCC(=O)Oc1ccc(-c2ccccc2)
cc1 - Molecular Weight1
- 270.28
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -499.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.822 | Crippen Calculated Property | |
| McVol | 203.660 | ml/mol | McGowan Calculated Property |
| Inp | [2236.00; 2236.00] |
|
|
| Inp | 2236.00 | NIST | |
| Inp | 2236.00 | NIST | |
| Tboil | 643.82 | K | Relay (1.0) Calculated Property |
| Tfus | 380.66 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [558.48; 622.03] | J/mol×K | [776.40; 1012.27] |
|
| Cp,gas | 558.48 | J/mol×K | 776.40 | Joback Calculated Property |
| Cp,gas | 572.01 | J/mol×K | 815.71 | Joback Calculated Property |
| Cp,gas | 584.33 | J/mol×K | 855.02 | Joback Calculated Property |
| Cp,gas | 595.46 | J/mol×K | 894.34 | Joback Calculated Property |
| Cp,gas | 605.44 | J/mol×K | 933.65 | Joback Calculated Property |
| Cp,gas | 614.29 | J/mol×K | 972.96 | Joback Calculated Property |
| Cp,gas | 622.03 | J/mol×K | 1012.27 | Joback Calculated Property |
| η | [0.0000946; 0.0007322] | Pa×s | [479.76; 776.40] |
|
| η | 0.0007322 | Pa×s | 479.76 | Joback Calculated Property |
| η | 0.0004440 | Pa×s | 529.20 | Joback Calculated Property |
| η | 0.0002932 | Pa×s | 578.64 | Joback Calculated Property |
| η | 0.0002067 | Pa×s | 628.08 | Joback Calculated Property |
| η | 0.0001534 | Pa×s | 677.52 | Joback Calculated Property |
| η | 0.0001185 | Pa×s | 726.96 | Joback Calculated Property |
| η | 0.0000946 | Pa×s | 776.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetoxyacetic acid, 4-biphenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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