- InChI
- InChI=1S/C13H16O2/c1-2-10-6-8-11(9-7-10)13(14)15-12-4-3-5-12/h6-9,12H,2-5H2,1H3
- InChI Key
- LZFCLOXJWLIITN-UHFFFAOYSA-N
- Formula
- C13H16O2
- SMILES
- CCc1ccc(C(=O)OC2CCC2)cc1
- Molecular Weight1
- 204.26
- 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).
- 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 | -346.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.66 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.958 | Crippen Calculated Property | |
| McVol | 166.850 | ml/mol | McGowan Calculated Property |
| Inp | [1641.20; 1641.20] |
|
|
| Inp | 1641.20 | NIST | |
| Inp | 1641.20 | NIST | |
| Tboil | 564.15 | K | Relay (1.0) Calculated Property |
| Tfus | 230.18 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [424.81; 512.72] | J/mol×K | [597.93; 821.20] |
|
| Cp,gas | 424.81 | J/mol×K | 597.93 | Joback Calculated Property |
| Cp,gas | 442.27 | J/mol×K | 635.14 | Joback Calculated Property |
| Cp,gas | 458.54 | J/mol×K | 672.35 | Joback Calculated Property |
| Cp,gas | 473.67 | J/mol×K | 709.56 | Joback Calculated Property |
| Cp,gas | 487.71 | J/mol×K | 746.77 | Joback Calculated Property |
| Cp,gas | 500.71 | J/mol×K | 783.98 | Joback Calculated Property |
| Cp,gas | 512.72 | J/mol×K | 821.20 | Joback Calculated Property |
| η | [0.0002716; 0.0023300] | Pa×s | [331.96; 597.93] |
|
| η | 0.0023300 | Pa×s | 331.96 | Joback Calculated Property |
| η | 0.0013188 | Pa×s | 376.29 | Joback Calculated Property |
| η | 0.0008415 | Pa×s | 420.62 | Joback Calculated Property |
| η | 0.0005850 | Pa×s | 464.94 | Joback Calculated Property |
| η | 0.0004333 | Pa×s | 509.27 | Joback Calculated Property |
| η | 0.0003367 | Pa×s | 553.60 | Joback Calculated Property |
| η | 0.0002716 | Pa×s | 597.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylbenzoic acid, cyclobutyl 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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