- InChI
- InChI=1S/C22H18O4/c23-21(25-18-11-5-2-6-12-18)15-16-22(24)26-20-14-8-7-13-19(20)17-9-3-1-4-10-17/h1-14H,15-16H2
- InChI Key
- CEKZOMOKRKAFES-UHFFFAOYSA-N
- Formula
- C22H18O4
- SMILES
-
O=C(CCC(=O)Oc1ccccc1-c1ccccc1)
Oc1ccccc1 - Molecular Weight1
- 346.38
- 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 | -391.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.645 | Crippen Calculated Property | |
| McVol | 264.440 | ml/mol | McGowan Calculated Property |
| Inp | 2819.00 | NIST | |
| Tboil | 693.24 | K | Relay (1.0) Calculated Property |
| Tfus | 371.03 | 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 | [793.82; 846.02] | J/mol×K | [940.36; 1190.02] | 
|
| Cp,gas | 793.82 | J/mol×K | 940.36 | Joback Calculated Property |
| Cp,gas | 805.96 | J/mol×K | 981.97 | Joback Calculated Property |
| Cp,gas | 816.62 | J/mol×K | 1023.58 | Joback Calculated Property |
| Cp,gas | 825.88 | J/mol×K | 1065.19 | Joback Calculated Property |
| Cp,gas | 833.81 | J/mol×K | 1106.80 | Joback Calculated Property |
| Cp,gas | 840.50 | J/mol×K | 1148.41 | Joback Calculated Property |
| Cp,gas | 846.02 | J/mol×K | 1190.02 | Joback Calculated Property |
| η | [0.0000438; 0.0003766] | Pa×s | [573.80; 940.36] |
|
| η | 0.0003766 | Pa×s | 573.80 | Joback Calculated Property |
| η | 0.0002214 | Pa×s | 634.89 | Joback Calculated Property |
| η | 0.0001429 | Pa×s | 695.99 | Joback Calculated Property |
| η | 0.0000990 | Pa×s | 757.08 | Joback Calculated Property |
| η | 0.0000724 | Pa×s | 818.17 | Joback Calculated Property |
| η | 0.0000553 | Pa×s | 879.27 | Joback Calculated Property |
| η | 0.0000438 | Pa×s | 940.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, phenyl 2-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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