- InChI
- InChI=1S/C17H20Cl2O5/c1-4-7-23-15(21)17(5-2,6-3)16(22)24-14-11(10-20)8-12(18)9-13(14)19/h8-10H,4-7H2,1-3H3
- InChI Key
- NMRCKKZDBLSAAF-UHFFFAOYSA-N
- Formula
- C17H20Cl2O5
- SMILES
-
CCCOC(=O)C(CC)(CC)C(=O)Oc1c(Cl
)cc(Cl)cc1C=O - Molecular Weight1
- 375.24
- 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° | -412.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -807.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.20 | kJ/mol | Joback Calculated Property |
| log10WS | -5.37 | Crippen Calculated Property | |
| logPoct/wat | 4.471 | Crippen Calculated Property | |
| McVol | 267.560 | ml/mol | McGowan Calculated Property |
| Pc | 1661.90 | kPa | Joback Calculated Property |
| Inp | [2308.00; 2308.00] |
|
|
| Inp | 2308.00 | NIST | |
| Inp | 2308.00 | NIST | |
| Tboil | 902.85 | K | Joback Calculated Property |
| Tc | 1123.79 | K | Joback Calculated Property |
| Tfus | 593.91 | K | Joback Calculated Property |
| Vc | 1.032 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [765.21; 817.32] | J/mol×K | [902.85; 1123.79] |
|
| Cp,gas | 765.21 | J/mol×K | 902.85 | Joback Calculated Property |
| Cp,gas | 776.43 | J/mol×K | 939.67 | Joback Calculated Property |
| Cp,gas | 786.60 | J/mol×K | 976.50 | Joback Calculated Property |
| Cp,gas | 795.74 | J/mol×K | 1013.32 | Joback Calculated Property |
| Cp,gas | 803.89 | J/mol×K | 1050.14 | Joback Calculated Property |
| Cp,gas | 811.07 | J/mol×K | 1086.97 | Joback Calculated Property |
| Cp,gas | 817.32 | J/mol×K | 1123.79 | Joback Calculated Property |
| η | [0.0000538; 0.0003606] | Pa×s | [593.91; 902.85] |
|
| η | 0.0003606 | Pa×s | 593.91 | Joback Calculated Property |
| η | 0.0002314 | Pa×s | 645.40 | Joback Calculated Property |
| η | 0.0001585 | Pa×s | 696.89 | Joback Calculated Property |
| η | 0.0001144 | Pa×s | 748.38 | Joback Calculated Property |
| η | 0.0000861 | Pa×s | 799.87 | Joback Calculated Property |
| η | 0.0000671 | Pa×s | 851.36 | Joback Calculated Property |
| η | 0.0000538 | Pa×s | 902.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2,4-dichloro-6-formylphenyl propyl ester.
Sources
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