- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -499.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.63 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.61; 620.91] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.43490e+01 | |||
| Coefficient B | 1.19692e+00 | |||
| Coefficient C | -6.52760e-04 | |||
| Coefficient D | 9.11000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 265.61 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 331.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 389.99 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 441.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 486.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 525.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 557.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 584.01 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 605.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 620.91 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010951; 0.0001010] | Pa×s | [420.10; 681.26] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.30345e+01 | |||
| Coefficient B | 2.61202e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 420.10 | |||
| Temperature range, max. | 681.26 | |||
| η | 0.0010951 | Pa×s | 420.10 | Calculated Property |
| η | 0.0007328 | Pa×s | 449.12 | Calculated Property |
| η | 0.0005149 | Pa×s | 478.14 | Calculated Property |
| η | 0.0003767 | Pa×s | 507.15 | Calculated Property |
| η | 0.0002850 | Pa×s | 536.17 | Calculated Property |
| η | 0.0002220 | Pa×s | 565.19 | Calculated Property |
| η | 0.0001771 | Pa×s | 594.21 | Calculated Property |
| η | 0.0001443 | Pa×s | 623.23 | Calculated Property |
| η | 0.0001198 | Pa×s | 652.24 | Calculated Property |
| η | 0.0001010 | Pa×s | 681.26 | 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
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