- InChI
- InChI=1S/C17H21Cl3O4/c1-4-7-8-23-15(21)17(5-2,6-3)16(22)24-13-10-11(18)9-12(19)14(13)20/h9-10H,4-8H2,1-3H3
- InChI Key
- KMPDZPPTJKPATQ-UHFFFAOYSA-N
- Formula
- C17H21Cl3O4
- SMILES
-
CCCCOC(=O)C(CC)(CC)C(=O)Oc1cc(
Cl)cc(Cl)c1Cl - Molecular Weight1
- 395.70
- 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° | -325.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -737.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.87 | kJ/mol | Joback Calculated Property |
| log10WS | -6.23 | Crippen Calculated Property | |
| logPoct/wat | 5.702 | Crippen Calculated Property | |
| McVol | 278.230 | ml/mol | McGowan Calculated Property |
| Pc | 1521.12 | kPa | Joback Calculated Property |
| Inp | 2334.00 | NIST | |
| Tboil | 891.62 | K | Joback Calculated Property |
| Tc | 1112.64 | K | Joback Calculated Property |
| Tfus | 581.83 | K | Joback Calculated Property |
| Vc | 1.063 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [777.94; 834.32] | J/mol×K | [891.62; 1112.64] | 
|
| Cp,gas | 777.94 | J/mol×K | 891.62 | Joback Calculated Property |
| Cp,gas | 789.87 | J/mol×K | 928.46 | Joback Calculated Property |
| Cp,gas | 800.74 | J/mol×K | 965.29 | Joback Calculated Property |
| Cp,gas | 810.59 | J/mol×K | 1002.13 | Joback Calculated Property |
| Cp,gas | 819.44 | J/mol×K | 1038.97 | Joback Calculated Property |
| Cp,gas | 827.34 | J/mol×K | 1075.80 | Joback Calculated Property |
| Cp,gas | 834.32 | J/mol×K | 1112.64 | Joback Calculated Property |
| η | [0.0000429; 0.0003048] | Pa×s | [581.83; 891.62] |
|
| η | 0.0003048 | Pa×s | 581.83 | Joback Calculated Property |
| η | 0.0001925 | Pa×s | 633.46 | Joback Calculated Property |
| η | 0.0001303 | Pa×s | 685.09 | Joback Calculated Property |
| η | 0.0000931 | Pa×s | 736.72 | Joback Calculated Property |
| η | 0.0000696 | Pa×s | 788.36 | Joback Calculated Property |
| η | 0.0000539 | Pa×s | 839.99 | Joback Calculated Property |
| η | 0.0000429 | Pa×s | 891.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, butyl 2,3,5-trichlorophenyl ester.
Sources
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