- InChI
- InChI=1S/C14H13Cl3O4/c1-3-14(4-2,12(17)19)13(20)21-11-8(7-18)5-9(15)6-10(11)16/h5-7H,3-4H2,1-2H3
- InChI Key
- NJWAUZQHFDLNDW-UHFFFAOYSA-N
- Formula
- C14H13Cl3O4
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)Oc1c(Cl)c
c(Cl)cc1C=O - Molecular Weight1
- 351.61
- 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° | -344.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -629.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.50 | kJ/mol | Joback Calculated Property |
| log10WS | -5.18 | Crippen Calculated Property | |
| logPoct/wat | 4.283 | Crippen Calculated Property | |
| McVol | 231.660 | ml/mol | McGowan Calculated Property |
| Pc | 2094.58 | kPa | Joback Calculated Property |
| Inp | [2198.00; 2198.00] |
|
|
| Inp | 2198.00 | NIST | |
| Inp | 2198.00 | NIST | |
| Tboil | 849.22 | K | Joback Calculated Property |
| Tc | 1079.70 | K | Joback Calculated Property |
| Tfus | 567.79 | K | Joback Calculated Property |
| Vc | 0.894 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [594.57; 640.13] | J/mol×K | [849.22; 1079.70] |
|
| Cp,gas | 594.57 | J/mol×K | 849.22 | Joback Calculated Property |
| Cp,gas | 604.22 | J/mol×K | 887.63 | Joback Calculated Property |
| Cp,gas | 612.99 | J/mol×K | 926.05 | Joback Calculated Property |
| Cp,gas | 620.92 | J/mol×K | 964.46 | Joback Calculated Property |
| Cp,gas | 628.06 | J/mol×K | 1002.88 | Joback Calculated Property |
| Cp,gas | 634.45 | J/mol×K | 1041.29 | Joback Calculated Property |
| Cp,gas | 640.13 | J/mol×K | 1079.70 | Joback Calculated Property |
| η | [0.0000961; 0.0005764] | Pa×s | [567.79; 849.22] |
|
| η | 0.0005764 | Pa×s | 567.79 | Joback Calculated Property |
| η | 0.0003816 | Pa×s | 614.70 | Joback Calculated Property |
| η | 0.0002678 | Pa×s | 661.60 | Joback Calculated Property |
| η | 0.0001970 | Pa×s | 708.50 | Joback Calculated Property |
| η | 0.0001505 | Pa×s | 755.41 | Joback Calculated Property |
| η | 0.0001187 | Pa×s | 802.31 | Joback Calculated Property |
| η | 0.0000961 | Pa×s | 849.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, 2,4-dichloro-6-formylphenyl ester.
Sources
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