- 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° | 33.50 | 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 | [548.50; 627.69] | J/mol×K | [673.83; 885.00] | 
|
| Cp,gas | 548.50 | J/mol×K | 673.83 | Joback Calculated Property |
| Cp,gas | 564.12 | J/mol×K | 709.02 | Joback Calculated Property |
| Cp,gas | 578.71 | J/mol×K | 744.22 | Joback Calculated Property |
| Cp,gas | 592.32 | J/mol×K | 779.41 | Joback Calculated Property |
| Cp,gas | 604.99 | J/mol×K | 814.61 | Joback Calculated Property |
| Cp,gas | 616.76 | J/mol×K | 849.80 | Joback Calculated Property |
| Cp,gas | 627.69 | J/mol×K | 885.00 | Joback Calculated Property |
| η | [0.0000889; 0.0020385] | Pa×s | [349.92; 673.83] |
|
| η | 0.0020385 | Pa×s | 349.92 | Joback Calculated Property |
| η | 0.0008532 | Pa×s | 403.90 | Joback Calculated Property |
| η | 0.0004385 | Pa×s | 457.89 | Joback Calculated Property |
| η | 0.0002594 | Pa×s | 511.88 | Joback Calculated Property |
| η | 0.0001696 | Pa×s | 565.86 | Joback Calculated Property |
| η | 0.0001194 | Pa×s | 619.85 | Joback Calculated Property |
| η | 0.0000889 | Pa×s | 673.83 | 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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