- InChI
- InChI=1S/C16H14O2/c17-16(14-6-7-14)18-15-10-8-13(9-11-15)12-4-2-1-3-5-12/h1-5,8-11,14H,6-7H2
- InChI Key
- UNMBXFPVBYYKPX-UHFFFAOYSA-N
- Formula
- C16H14O2
- SMILES
- O=C(Oc1ccc(-c2ccccc2)cc1)C1CC1
- Molecular Weight1
- 238.28
- 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 | -126.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.669 | Crippen Calculated Property | |
| McVol | 185.360 | ml/mol | McGowan Calculated Property |
| Inp | 2148.00 | NIST | |
| Tboil | 629.36 | K | Relay (1.0) Calculated Property |
| Tfus | 374.56 | 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 | [498.01; 578.36] | J/mol×K | [688.98; 937.01] | 
|
| Cp,gas | 498.01 | J/mol×K | 688.98 | Joback Calculated Property |
| Cp,gas | 514.69 | J/mol×K | 730.32 | Joback Calculated Property |
| Cp,gas | 529.91 | J/mol×K | 771.66 | Joback Calculated Property |
| Cp,gas | 543.78 | J/mol×K | 813.00 | Joback Calculated Property |
| Cp,gas | 556.41 | J/mol×K | 854.33 | Joback Calculated Property |
| Cp,gas | 567.90 | J/mol×K | 895.67 | Joback Calculated Property |
| Cp,gas | 578.36 | J/mol×K | 937.01 | Joback Calculated Property |
| η | [0.0002903; 0.0018196] | Pa×s | [395.71; 688.98] |
|
| η | 0.0018196 | Pa×s | 395.71 | Joback Calculated Property |
| η | 0.0011326 | Pa×s | 444.59 | Joback Calculated Property |
| η | 0.0007744 | Pa×s | 493.47 | Joback Calculated Property |
| η | 0.0005670 | Pa×s | 542.35 | Joback Calculated Property |
| η | 0.0004372 | Pa×s | 591.22 | Joback Calculated Property |
| η | 0.0003507 | Pa×s | 640.10 | Joback Calculated Property |
| η | 0.0002903 | Pa×s | 688.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropanecarboxylic 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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