- InChI
- InChI=1S/C21H24Cl2O4/c1-5-21(6-2,19(24)26-12-13(3)4)20(25)27-18-15-10-8-7-9-14(15)16(22)11-17(18)23/h7-11,13H,5-6,12H2,1-4H3
- InChI Key
- GVOCHXTVEHZLCI-UHFFFAOYSA-N
- Formula
- C21H24Cl2O4
- SMILES
-
CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1c
(Cl)cc(Cl)c2ccccc12 - Molecular Weight1
- 411.32
- 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° | -175.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -618.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.64 | kJ/mol | Joback Calculated Property |
| log10WS | -7.11 | Crippen Calculated Property | |
| logPoct/wat | 6.058 | Crippen Calculated Property | |
| McVol | 302.890 | ml/mol | McGowan Calculated Property |
| Pc | 1415.44 | kPa | Joback Calculated Property |
| Inp | [2744.00; 2744.00] |
|
|
| Inp | 2744.00 | NIST | |
| Inp | 2744.00 | NIST | |
| Tboil | 964.25 | K | Joback Calculated Property |
| Tc | 1196.11 | K | Joback Calculated Property |
| Tfus | 614.69 | K | Joback Calculated Property |
| Vc | 1.155 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [906.21; 967.97] | J/mol×K | [964.25; 1196.11] |
|
| Cp,gas | 906.21 | J/mol×K | 964.25 | Joback Calculated Property |
| Cp,gas | 918.80 | J/mol×K | 1002.89 | Joback Calculated Property |
| Cp,gas | 930.36 | J/mol×K | 1041.54 | Joback Calculated Property |
| Cp,gas | 940.98 | J/mol×K | 1080.18 | Joback Calculated Property |
| Cp,gas | 950.73 | J/mol×K | 1118.82 | Joback Calculated Property |
| Cp,gas | 959.70 | J/mol×K | 1157.47 | Joback Calculated Property |
| Cp,gas | 967.97 | J/mol×K | 1196.11 | Joback Calculated Property |
| η | [0.0000520; 0.0003488] | Pa×s | [614.69; 964.25] |
|
| η | 0.0003488 | Pa×s | 614.69 | Joback Calculated Property |
| η | 0.0002214 | Pa×s | 672.95 | Joback Calculated Property |
| η | 0.0001511 | Pa×s | 731.21 | Joback Calculated Property |
| η | 0.0001091 | Pa×s | 789.47 | Joback Calculated Property |
| η | 0.0000824 | Pa×s | 847.73 | Joback Calculated Property |
| η | 0.0000645 | Pa×s | 905.99 | Joback Calculated Property |
| η | 0.0000520 | Pa×s | 964.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2,4-dichloronaphth-1-yl isobutyl ester.
Sources
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