- InChI
- InChI=1S/C15H19ClO4/c1-10(2)9-19-13(17)15(3,4)14(18)20-12-7-5-11(16)6-8-12/h5-8,10H,9H2,1-4H3
- InChI Key
- FIMZKLFPBAKZDH-UHFFFAOYSA-N
- Formula
- C15H19ClO4
- SMILES
-
CC(C)COC(=O)C(C)(C)C(=O)Oc1ccc
(Cl)cc1 - Molecular Weight1
- 298.77
- 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 | -777.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.471 | Crippen Calculated Property | |
| McVol | 225.570 | ml/mol | McGowan Calculated Property |
| Inp | [1866.00; 1866.00] |
|
|
| Inp | 1866.00 | NIST | |
| Inp | 1866.00 | NIST | |
| Tfus | 310.25 | 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 | [613.89; 685.23] | J/mol×K | [724.66; 940.93] |
|
| Cp,gas | 613.89 | J/mol×K | 724.66 | Joback Calculated Property |
| Cp,gas | 628.62 | J/mol×K | 760.71 | Joback Calculated Property |
| Cp,gas | 642.16 | J/mol×K | 796.75 | Joback Calculated Property |
| Cp,gas | 654.56 | J/mol×K | 832.80 | Joback Calculated Property |
| Cp,gas | 665.84 | J/mol×K | 868.84 | Joback Calculated Property |
| Cp,gas | 676.05 | J/mol×K | 904.89 | Joback Calculated Property |
| Cp,gas | 685.23 | J/mol×K | 940.93 | Joback Calculated Property |
| η | [0.0000575; 0.0015439] | Pa×s | [399.75; 724.66] |
|
| η | 0.0015439 | Pa×s | 399.75 | Joback Calculated Property |
| η | 0.0006432 | Pa×s | 453.90 | Joback Calculated Property |
| η | 0.0003229 | Pa×s | 508.05 | Joback Calculated Property |
| η | 0.0001851 | Pa×s | 562.21 | Joback Calculated Property |
| η | 0.0001170 | Pa×s | 616.36 | Joback Calculated Property |
| η | 0.0000797 | Pa×s | 670.51 | Joback Calculated Property |
| η | 0.0000575 | Pa×s | 724.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 4-chlorophenyl isobutyl 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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