- InChI
- InChI=1S/C16H29ClO2/c17-13-7-3-1-2-4-8-14-19-16(18)12-11-15-9-5-6-10-15/h15H,1-14H2
- InChI Key
- LSPFYISYDAUGPA-UHFFFAOYSA-N
- Formula
- C16H29ClO2
- SMILES
- O=C(CCC1CCCC1)OCCCCCCCCCl
- Molecular Weight1
- 288.85
- 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 | -682.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.65 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.079 | Crippen Calculated Property | |
| McVol | 245.120 | ml/mol | McGowan Calculated Property |
| Inp | [2198.00; 2198.00] |
|
|
| Inp | 2198.00 | NIST | |
| Inp | 2198.00 | NIST | |
| Tboil | 603.91 | K | Relay (1.0) Calculated Property |
| Tfus | 260.99 | 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 | [694.72; 793.22] | J/mol×K | [676.61; 863.65] |
|
| Cp,gas | 694.72 | J/mol×K | 676.61 | Joback Calculated Property |
| Cp,gas | 713.65 | J/mol×K | 707.78 | Joback Calculated Property |
| Cp,gas | 731.53 | J/mol×K | 738.96 | Joback Calculated Property |
| Cp,gas | 748.40 | J/mol×K | 770.13 | Joback Calculated Property |
| Cp,gas | 764.28 | J/mol×K | 801.31 | Joback Calculated Property |
| Cp,gas | 779.21 | J/mol×K | 832.48 | Joback Calculated Property |
| Cp,gas | 793.22 | J/mol×K | 863.65 | Joback Calculated Property |
| η | [0.0001414; 0.0031290] | Pa×s | [353.23; 676.61] |
|
| η | 0.0031290 | Pa×s | 353.23 | Joback Calculated Property |
| η | 0.0013269 | Pa×s | 407.13 | Joback Calculated Property |
| η | 0.0006877 | Pa×s | 461.02 | Joback Calculated Property |
| η | 0.0004090 | Pa×s | 514.92 | Joback Calculated Property |
| η | 0.0002684 | Pa×s | 568.82 | Joback Calculated Property |
| η | 0.0001895 | Pa×s | 622.71 | Joback Calculated Property |
| η | 0.0001414 | Pa×s | 676.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, 8-chlorooctyl 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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