- 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
- 298.76
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -301.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -647.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.94 | kJ/mol | Joback Calculated Property |
| log10WS | -3.78 | Crippen Calculated Property | |
| logPoct/wat | 3.471 | Crippen Calculated Property | |
| McVol | 225.570 | ml/mol | McGowan Calculated Property |
| Pc | 1957.87 | kPa | Joback Calculated Property |
| Inp | [1866.00; 1866.00] |
|
|
| Inp | 1866.00 | NIST | |
| Inp | 1866.00 | NIST | |
| Tboil | 760.60 | K | Joback Calculated Property |
| Tc | 980.46 | K | Joback Calculated Property |
| Tfus | 459.41 | K | Joback Calculated Property |
| Vc | 0.848 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [622.79; 692.44] | J/mol×K | [760.60; 980.46] |
|
| Cp,gas | 622.79 | J/mol×K | 760.60 | Joback Calculated Property |
| Cp,gas | 636.99 | J/mol×K | 797.24 | Joback Calculated Property |
| Cp,gas | 650.11 | J/mol×K | 833.89 | Joback Calculated Property |
| Cp,gas | 662.17 | J/mol×K | 870.53 | Joback Calculated Property |
| Cp,gas | 673.23 | J/mol×K | 907.17 | Joback Calculated Property |
| Cp,gas | 683.31 | J/mol×K | 943.82 | Joback Calculated Property |
| Cp,gas | 692.44 | J/mol×K | 980.46 | Joback Calculated Property |
| η | [0.0000711; 0.0008588] | Pa×s | [459.41; 760.60] |
|
| η | 0.0008588 | Pa×s | 459.41 | Joback Calculated Property |
| η | 0.0004620 | Pa×s | 509.61 | Joback Calculated Property |
| η | 0.0002778 | Pa×s | 559.81 | Joback Calculated Property |
| η | 0.0001816 | Pa×s | 610.00 | Joback Calculated Property |
| η | 0.0001267 | Pa×s | 660.20 | Joback Calculated Property |
| η | 0.0000929 | Pa×s | 710.40 | Joback Calculated Property |
| η | 0.0000711 | Pa×s | 760.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 4-chlorophenyl isobutyl ester.
Sources
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