- InChI
- InChI=1S/C15H19ClO2/c1-3-4-5-6-7-12(2)18-15(17)13-8-10-14(16)11-9-13/h6-12H,3-5H2,1-2H3/b7-6+
- InChI Key
- CKYPWBNNZZHCOB-VOTSOKGWSA-N
- Formula
- C15H19ClO2
- SMILES
- CCCCC=CC(C)OC(=O)c1ccc(Cl)cc1
- Molecular Weight1
- 266.76
- 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 | -417.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.632 | Crippen Calculated Property | |
| McVol | 213.830 | ml/mol | McGowan Calculated Property |
| Inp | 1827.00 | NIST | |
| Tboil | 572.96 | K | Relay (1.0) Calculated Property |
| Tfus | 272.09 | 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 | [553.39; 631.72] | J/mol×K | [691.70; 904.77] | 
|
| Cp,gas | 553.39 | J/mol×K | 691.70 | Joback Calculated Property |
| Cp,gas | 568.73 | J/mol×K | 727.21 | Joback Calculated Property |
| Cp,gas | 583.10 | J/mol×K | 762.72 | Joback Calculated Property |
| Cp,gas | 596.54 | J/mol×K | 798.24 | Joback Calculated Property |
| Cp,gas | 609.10 | J/mol×K | 833.75 | Joback Calculated Property |
| Cp,gas | 620.81 | J/mol×K | 869.26 | Joback Calculated Property |
| Cp,gas | 631.72 | J/mol×K | 904.77 | Joback Calculated Property |
| η | [0.0000994; 0.0014534] | Pa×s | [379.75; 691.70] |
|
| η | 0.0014534 | Pa×s | 379.75 | Joback Calculated Property |
| η | 0.0007101 | Pa×s | 431.74 | Joback Calculated Property |
| η | 0.0004047 | Pa×s | 483.73 | Joback Calculated Property |
| η | 0.0002572 | Pa×s | 535.73 | Joback Calculated Property |
| η | 0.0001772 | Pa×s | 587.72 | Joback Calculated Property |
| η | 0.0001296 | Pa×s | 639.71 | Joback Calculated Property |
| η | 0.0000994 | Pa×s | 691.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobenzoic acid, oct-3-en-2-yl 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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