- InChI
- InChI=1S/C16H18Cl2O5/c1-9(2)8-22-14(20)16(3,4)15(21)23-13-10(7-19)5-11(17)6-12(13)18/h5-7,9H,8H2,1-4H3
- InChI Key
- MICXEHRGKOCCES-UHFFFAOYSA-N
- Formula
- C16H18Cl2O5
- SMILES
-
CC(C)COC(=O)C(C)(C)C(=O)Oc1c(C
l)cc(Cl)cc1C=O - Molecular Weight1
- 361.22
- 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° | -423.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -792.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.59 | kJ/mol | Joback Calculated Property |
| log10WS | -4.71 | Crippen Calculated Property | |
| logPoct/wat | 3.937 | Crippen Calculated Property | |
| McVol | 253.470 | ml/mol | McGowan Calculated Property |
| Pc | 1812.32 | kPa | Joback Calculated Property |
| Inp | [2203.00; 2203.00] |
|
|
| Inp | 2203.00 | NIST | |
| Inp | 2203.00 | NIST | |
| Tboil | 879.53 | K | Joback Calculated Property |
| Tc | 1104.05 | K | Joback Calculated Property |
| Tfus | 567.64 | K | Joback Calculated Property |
| Vc | 0.970 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [709.59; 760.69] | J/mol×K | [879.53; 1104.05] |
|
| Cp,gas | 709.59 | J/mol×K | 879.53 | Joback Calculated Property |
| Cp,gas | 720.67 | J/mol×K | 916.95 | Joback Calculated Property |
| Cp,gas | 730.68 | J/mol×K | 954.37 | Joback Calculated Property |
| Cp,gas | 739.67 | J/mol×K | 991.79 | Joback Calculated Property |
| Cp,gas | 747.64 | J/mol×K | 1029.21 | Joback Calculated Property |
| Cp,gas | 754.64 | J/mol×K | 1066.63 | Joback Calculated Property |
| Cp,gas | 760.69 | J/mol×K | 1104.05 | Joback Calculated Property |
| η | [0.0000571; 0.0004339] | Pa×s | [567.64; 879.53] |
|
| η | 0.0004339 | Pa×s | 567.64 | Joback Calculated Property |
| η | 0.0002685 | Pa×s | 619.62 | Joback Calculated Property |
| η | 0.0001790 | Pa×s | 671.60 | Joback Calculated Property |
| η | 0.0001265 | Pa×s | 723.59 | Joback Calculated Property |
| η | 0.0000936 | Pa×s | 775.57 | Joback Calculated Property |
| η | 0.0000720 | Pa×s | 827.55 | Joback Calculated Property |
| η | 0.0000571 | Pa×s | 879.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 2,4-dichloro-6-formylphenyl isobutyl ester.
Sources
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