- InChI
- InChI=1S/C13H11Cl5O4/c1-4-21-11(19)13(2,3)12(20)22-10-8(17)6(15)5(14)7(16)9(10)18/h4H2,1-3H3
- InChI Key
- BUDYUENCDUJLKS-UHFFFAOYSA-N
- Formula
- C13H11Cl5O4
- SMILES
-
CCOC(=O)C(C)(C)C(=O)Oc1c(Cl)c(
Cl)c(Cl)c(Cl)c1Cl - Molecular Weight1
- 408.49
- 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° | -401.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -709.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.06 | kJ/mol | Joback Calculated Property |
| log10WS | -5.92 | Crippen Calculated Property | |
| logPoct/wat | 5.448 | Crippen Calculated Property | |
| McVol | 246.350 | ml/mol | McGowan Calculated Property |
| Pc | 1916.94 | kPa | Joback Calculated Property |
| Inp | [2462.00; 2462.00] |
|
|
| Inp | 2462.00 | NIST | |
| Inp | 2462.00 | NIST | |
| Tboil | 884.92 | K | Joback Calculated Property |
| Tc | 1121.55 | K | Joback Calculated Property |
| Tfus | 621.63 | K | Joback Calculated Property |
| Vc | 0.938 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [592.56; 628.53] | J/mol×K | [884.92; 1121.55] |
|
| Cp,gas | 592.56 | J/mol×K | 884.92 | Joback Calculated Property |
| Cp,gas | 600.85 | J/mol×K | 924.36 | Joback Calculated Property |
| Cp,gas | 608.20 | J/mol×K | 963.80 | Joback Calculated Property |
| Cp,gas | 614.63 | J/mol×K | 1003.23 | Joback Calculated Property |
| Cp,gas | 620.16 | J/mol×K | 1042.67 | Joback Calculated Property |
| Cp,gas | 624.78 | J/mol×K | 1082.11 | Joback Calculated Property |
| Cp,gas | 628.53 | J/mol×K | 1121.55 | Joback Calculated Property |
| η | [0.0000581; 0.0002616] | Pa×s | [621.63; 884.92] |
|
| η | 0.0002616 | Pa×s | 621.63 | Joback Calculated Property |
| η | 0.0001874 | Pa×s | 665.51 | Joback Calculated Property |
| η | 0.0001399 | Pa×s | 709.39 | Joback Calculated Property |
| η | 0.0001080 | Pa×s | 753.27 | Joback Calculated Property |
| η | 0.0000859 | Pa×s | 797.16 | Joback Calculated Property |
| η | 0.0000699 | Pa×s | 841.04 | Joback Calculated Property |
| η | 0.0000581 | Pa×s | 884.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, ethyl pentachlorophenyl ester.
Sources
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