- InChI
- InChI=1S/C10H19ClO3/c1-9(5-7-13-2)8-14-10(12)4-3-6-11/h9H,3-8H2,1-2H3
- InChI Key
- GJHPDBDYVXVFNP-UHFFFAOYSA-N
- Formula
- C10H19ClO3
- SMILES
- COCCC(C)COC(=O)CCCCl
- Molecular Weight1
- 222.71
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -724.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.221 | Crippen Calculated Property | |
| McVol | 177.310 | ml/mol | McGowan Calculated Property |
| Inp | 1520.00 | NIST | |
| Tboil | 533.18 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [419.13; 494.45] | J/mol×K | [546.03; 723.45] | 
|
| Cp,gas | 419.13 | J/mol×K | 546.03 | Joback Calculated Property |
| Cp,gas | 433.12 | J/mol×K | 575.60 | Joback Calculated Property |
| Cp,gas | 446.54 | J/mol×K | 605.17 | Joback Calculated Property |
| Cp,gas | 459.39 | J/mol×K | 634.74 | Joback Calculated Property |
| Cp,gas | 471.65 | J/mol×K | 664.31 | Joback Calculated Property |
| Cp,gas | 483.34 | J/mol×K | 693.88 | Joback Calculated Property |
| Cp,gas | 494.45 | J/mol×K | 723.45 | Joback Calculated Property |
| η | [0.0001517; 0.0044752] | Pa×s | [281.94; 546.03] |
|
| η | 0.0044752 | Pa×s | 281.94 | Joback Calculated Property |
| η | 0.0017395 | Pa×s | 325.95 | Joback Calculated Property |
| η | 0.0008466 | Pa×s | 369.97 | Joback Calculated Property |
| η | 0.0004802 | Pa×s | 413.99 | Joback Calculated Property |
| η | 0.0003038 | Pa×s | 458.00 | Joback Calculated Property |
| η | 0.0002082 | Pa×s | 502.01 | Joback Calculated Property |
| η | 0.0001517 | Pa×s | 546.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobutyric acid, 4-methoxy-2-methylbutyl 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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