- InChI
- InChI=1S/C22H26Cl2O4/c1-4-7-10-13-27-20(25)22(5-2,6-3)21(26)28-19-16-12-9-8-11-15(16)17(23)14-18(19)24/h8-9,11-12,14H,4-7,10,13H2,1-3H3
- InChI Key
- IPUBKCSOFFDYQO-UHFFFAOYSA-N
- Formula
- C22H26Cl2O4
- SMILES
-
CCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(
Cl)cc(Cl)c2ccccc12 - Molecular Weight1
- 425.35
- 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° | -164.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -634.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.25 | kJ/mol | Joback Calculated Property |
| log10WS | -7.77 | Crippen Calculated Property | |
| logPoct/wat | 6.592 | Crippen Calculated Property | |
| McVol | 316.980 | ml/mol | McGowan Calculated Property |
| Pc | 1310.85 | kPa | Joback Calculated Property |
| Inp | 2881.00 | NIST | |
| Tboil | 987.57 | K | Joback Calculated Property |
| Tc | 1217.90 | K | Joback Calculated Property |
| Tfus | 640.96 | K | Joback Calculated Property |
| Vc | 1.216 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [964.69; 1028.07] | J/mol×K | [987.57; 1217.90] | 
|
| Cp,gas | 964.69 | J/mol×K | 987.57 | Joback Calculated Property |
| Cp,gas | 977.48 | J/mol×K | 1025.96 | Joback Calculated Property |
| Cp,gas | 989.27 | J/mol×K | 1064.35 | Joback Calculated Property |
| Cp,gas | 1000.14 | J/mol×K | 1102.74 | Joback Calculated Property |
| Cp,gas | 1010.18 | J/mol×K | 1141.13 | Joback Calculated Property |
| Cp,gas | 1019.46 | J/mol×K | 1179.51 | Joback Calculated Property |
| Cp,gas | 1028.07 | J/mol×K | 1217.90 | Joback Calculated Property |
| η | [0.0000493; 0.0002976] | Pa×s | [640.96; 987.57] |
|
| η | 0.0002976 | Pa×s | 640.96 | Joback Calculated Property |
| η | 0.0001948 | Pa×s | 698.73 | Joback Calculated Property |
| η | 0.0001361 | Pa×s | 756.50 | Joback Calculated Property |
| η | 0.0001000 | Pa×s | 814.26 | Joback Calculated Property |
| η | 0.0000766 | Pa×s | 872.03 | Joback Calculated Property |
| η | 0.0000606 | Pa×s | 929.80 | Joback Calculated Property |
| η | 0.0000493 | Pa×s | 987.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2,4-dichloronaphth-1-yl pentyl ester.
Sources
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