- InChI
- InChI=1S/C17H22Cl2O4/c1-4-5-6-7-10-22-15(20)17(2,3)16(21)23-14-11-12(18)8-9-13(14)19/h8-9,11H,4-7,10H2,1-3H3
- InChI Key
- JHERGPOMQNARTC-UHFFFAOYSA-N
- Formula
- C17H22Cl2O4
- SMILES
-
CCCCCCOC(=O)C(C)(C)C(=O)Oc1cc(
Cl)ccc1Cl - Molecular Weight1
- 361.26
- 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° | -303.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -710.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.82 | kJ/mol | Joback Calculated Property |
| log10WS | -5.54 | Crippen Calculated Property | |
| logPoct/wat | 5.048 | Crippen Calculated Property | |
| McVol | 265.990 | ml/mol | McGowan Calculated Property |
| Pc | 1584.75 | kPa | Joback Calculated Property |
| Inp | [2214.00; 2214.00] |
|
|
| Inp | 2214.00 | NIST | |
| Inp | 2214.00 | NIST | |
| Tboil | 849.21 | K | Joback Calculated Property |
| Tc | 1065.57 | K | Joback Calculated Property |
| Tfus | 539.39 | K | Joback Calculated Property |
| Vc | 1.014 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [756.53; 820.49] | J/mol×K | [849.21; 1065.57] |
|
| Cp,gas | 756.53 | J/mol×K | 849.21 | Joback Calculated Property |
| Cp,gas | 769.72 | J/mol×K | 885.27 | Joback Calculated Property |
| Cp,gas | 781.86 | J/mol×K | 921.33 | Joback Calculated Property |
| Cp,gas | 792.96 | J/mol×K | 957.39 | Joback Calculated Property |
| Cp,gas | 803.08 | J/mol×K | 993.45 | Joback Calculated Property |
| Cp,gas | 812.24 | J/mol×K | 1029.51 | Joback Calculated Property |
| Cp,gas | 820.49 | J/mol×K | 1065.57 | Joback Calculated Property |
| η | [0.0000500; 0.0004241] | Pa×s | [539.39; 849.21] |
|
| η | 0.0004241 | Pa×s | 539.39 | Joback Calculated Property |
| η | 0.0002541 | Pa×s | 591.03 | Joback Calculated Property |
| η | 0.0001653 | Pa×s | 642.66 | Joback Calculated Property |
| η | 0.0001147 | Pa×s | 694.30 | Joback Calculated Property |
| η | 0.0000837 | Pa×s | 745.94 | Joback Calculated Property |
| η | 0.0000636 | Pa×s | 797.57 | Joback Calculated Property |
| η | 0.0000500 | Pa×s | 849.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 2,5-dichlorophenyl hexyl ester.
Sources
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