- InChI
- InChI=1S/C13H17ClO2/c1-10(2)11-5-7-12(8-6-11)16-13(15)4-3-9-14/h5-8,10H,3-4,9H2,1-2H3
- InChI Key
- VZSJRZQELOWJTH-UHFFFAOYSA-N
- Formula
- C13H17ClO2
- SMILES
- CC(C)c1ccc(OC(=O)CCCCl)cc1
- Molecular Weight1
- 240.73
- 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 | -437.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.734 | Crippen Calculated Property | |
| McVol | 189.950 | ml/mol | McGowan Calculated Property |
| Inp | 1813.00 | NIST | |
| Tboil | 560.09 | K | Relay (1.0) Calculated Property |
| Tfus | 277.37 | 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 | [467.15; 544.95] | J/mol×K | [623.91; 833.46] | 
|
| Cp,gas | 467.15 | J/mol×K | 623.91 | Joback Calculated Property |
| Cp,gas | 482.40 | J/mol×K | 658.83 | Joback Calculated Property |
| Cp,gas | 496.70 | J/mol×K | 693.76 | Joback Calculated Property |
| Cp,gas | 510.09 | J/mol×K | 728.68 | Joback Calculated Property |
| Cp,gas | 522.57 | J/mol×K | 763.61 | Joback Calculated Property |
| Cp,gas | 534.18 | J/mol×K | 798.53 | Joback Calculated Property |
| Cp,gas | 544.95 | J/mol×K | 833.46 | Joback Calculated Property |
| η | [0.0001311; 0.0025618] | Pa×s | [332.46; 623.91] |
|
| η | 0.0025618 | Pa×s | 332.46 | Joback Calculated Property |
| η | 0.0011383 | Pa×s | 381.04 | Joback Calculated Property |
| η | 0.0006076 | Pa×s | 429.61 | Joback Calculated Property |
| η | 0.0003684 | Pa×s | 478.19 | Joback Calculated Property |
| η | 0.0002450 | Pa×s | 526.76 | Joback Calculated Property |
| η | 0.0001746 | Pa×s | 575.34 | Joback Calculated Property |
| η | 0.0001311 | Pa×s | 623.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobutyric acid, 4-isopropylphenyl 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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