- InChI
- InChI=1S/C13H17ClO3/c1-16-11-6-8-12(9-7-11)17-13(15)5-3-2-4-10-14/h6-9H,2-5,10H2,1H3
- InChI Key
- WIUNAWMQMZCBAR-UHFFFAOYSA-N
- Formula
- C13H17ClO3
- SMILES
- COc1ccc(OC(=O)CCCCCCl)cc1
- Molecular Weight1
- 256.73
- 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 | -534.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.400 | Crippen Calculated Property | |
| McVol | 195.820 | ml/mol | McGowan Calculated Property |
| Inp | [1968.00; 1968.00] |
|
|
| Inp | 1968.00 | NIST | |
| Inp | 1968.00 | NIST | |
| Tboil | 594.23 | K | Relay (1.0) Calculated Property |
| Tfus | 304.35 | 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 | [492.80; 567.45] | J/mol×K | [646.77; 850.35] |
|
| Cp,gas | 492.80 | J/mol×K | 646.77 | Joback Calculated Property |
| Cp,gas | 507.39 | J/mol×K | 680.70 | Joback Calculated Property |
| Cp,gas | 521.10 | J/mol×K | 714.63 | Joback Calculated Property |
| Cp,gas | 533.96 | J/mol×K | 748.56 | Joback Calculated Property |
| Cp,gas | 545.96 | J/mol×K | 782.49 | Joback Calculated Property |
| Cp,gas | 557.12 | J/mol×K | 816.42 | Joback Calculated Property |
| Cp,gas | 567.45 | J/mol×K | 850.35 | Joback Calculated Property |
| η | [0.0001098; 0.0014052] | Pa×s | [369.69; 646.77] |
|
| η | 0.0014052 | Pa×s | 369.69 | Joback Calculated Property |
| η | 0.0007257 | Pa×s | 415.87 | Joback Calculated Property |
| η | 0.0004277 | Pa×s | 462.05 | Joback Calculated Property |
| η | 0.0002775 | Pa×s | 508.23 | Joback Calculated Property |
| η | 0.0001935 | Pa×s | 554.41 | Joback Calculated Property |
| η | 0.0001426 | Pa×s | 600.59 | Joback Calculated Property |
| η | 0.0001098 | Pa×s | 646.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Chlorohexanoic acid, 4-methoxyphenyl 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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