- InChI
- InChI=1S/C18H20O2/c1-3-14(4-2)18(19)20-17-12-10-16(11-13-17)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3
- InChI Key
- DWGWCKVJEJESPY-UHFFFAOYSA-N
- Formula
- C18H20O2
- SMILES
-
CCC(CC)C(=O)Oc1ccc(-c2ccccc2)c
c1 - Molecular Weight1
- 268.35
- 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 | -275.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.695 | Crippen Calculated Property | |
| McVol | 224.400 | ml/mol | McGowan Calculated Property |
| Inp | [2183.00; 2183.00] |
|
|
| Inp | 2183.00 | NIST | |
| Inp | 2183.00 | NIST | |
| Tboil | 622.40 | K | Relay (1.0) Calculated Property |
| Tfus | 346.03 | 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 | [621.14; 704.99] | J/mol×K | [727.56; 955.51] |
|
| Cp,gas | 621.14 | J/mol×K | 727.56 | Joback Calculated Property |
| Cp,gas | 638.29 | J/mol×K | 765.55 | Joback Calculated Property |
| Cp,gas | 654.09 | J/mol×K | 803.54 | Joback Calculated Property |
| Cp,gas | 668.61 | J/mol×K | 841.53 | Joback Calculated Property |
| Cp,gas | 681.89 | J/mol×K | 879.52 | Joback Calculated Property |
| Cp,gas | 694.00 | J/mol×K | 917.51 | Joback Calculated Property |
| Cp,gas | 704.99 | J/mol×K | 955.51 | Joback Calculated Property |
| η | [0.0000794; 0.0015770] | Pa×s | [385.31; 727.56] |
|
| η | 0.0015770 | Pa×s | 385.31 | Joback Calculated Property |
| η | 0.0006950 | Pa×s | 442.35 | Joback Calculated Property |
| η | 0.0003693 | Pa×s | 499.39 | Joback Calculated Property |
| η | 0.0002234 | Pa×s | 556.43 | Joback Calculated Property |
| η | 0.0001484 | Pa×s | 613.48 | Joback Calculated Property |
| η | 0.0001057 | Pa×s | 670.52 | Joback Calculated Property |
| η | 0.0000794 | Pa×s | 727.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylbutyric 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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