- InChI
- InChI=1S/C14H17ClO4/c1-4-9-18-12(16)14(2,3)13(17)19-11-7-5-10(15)6-8-11/h5-8H,4,9H2,1-3H3
- InChI Key
- UPJPDESZJDAAHC-UHFFFAOYSA-N
- Formula
- C14H17ClO4
- SMILES
-
CCCOC(=O)C(C)(C)C(=O)Oc1ccc(Cl
)cc1 - Molecular Weight1
- 284.74
- 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.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -741.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.225 | Crippen Calculated Property | |
| McVol | 211.480 | ml/mol | McGowan Calculated Property |
| Inp | [1818.00; 1818.00] |
|
|
| Inp | 1818.00 | NIST | |
| Inp | 1818.00 | NIST | |
| Tfus | 293.78 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, 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 | [560.28; 629.16] | J/mol×K | [702.22; 917.93] |
|
| Cp,gas | 560.28 | J/mol×K | 702.22 | Joback Calculated Property |
| Cp,gas | 574.45 | J/mol×K | 738.17 | Joback Calculated Property |
| Cp,gas | 587.49 | J/mol×K | 774.12 | Joback Calculated Property |
| Cp,gas | 599.45 | J/mol×K | 810.07 | Joback Calculated Property |
| Cp,gas | 610.36 | J/mol×K | 846.03 | Joback Calculated Property |
| Cp,gas | 620.25 | J/mol×K | 881.98 | Joback Calculated Property |
| Cp,gas | 629.16 | J/mol×K | 917.93 | Joback Calculated Property |
| η | [0.0000721; 0.0013830] | Pa×s | [403.48; 702.22] |
|
| η | 0.0013830 | Pa×s | 403.48 | Joback Calculated Property |
| η | 0.0006449 | Pa×s | 453.27 | Joback Calculated Property |
| η | 0.0003498 | Pa×s | 503.06 | Joback Calculated Property |
| η | 0.0002118 | Pa×s | 552.85 | Joback Calculated Property |
| η | 0.0001393 | Pa×s | 602.64 | Joback Calculated Property |
| η | 0.0000977 | Pa×s | 652.43 | Joback Calculated Property |
| η | 0.0000721 | Pa×s | 702.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 4-chlorophenyl propyl 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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