- InChI
- InChI=1S/C18H22Cl2O5/c1-4-5-6-7-8-24-16(22)18(2,3)17(23)25-15-12(11-21)9-13(19)10-14(15)20/h9-11H,4-8H2,1-3H3
- InChI Key
- KTZDIISBTRDPSM-UHFFFAOYSA-N
- Formula
- C18H22Cl2O5
- SMILES
-
CCCCCCOC(=O)C(C)(C)C(=O)Oc1c(C
l)cc(Cl)cc1C=O - Molecular Weight1
- 389.27
- 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° | -404.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -828.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.43 | kJ/mol | Joback Calculated Property |
| log10WS | -5.79 | Crippen Calculated Property | |
| logPoct/wat | 4.861 | Crippen Calculated Property | |
| McVol | 281.650 | ml/mol | McGowan Calculated Property |
| Pc | 1539.08 | kPa | Joback Calculated Property |
| Inp | [2432.00; 2432.00] |
|
|
| Inp | 2432.00 | NIST | |
| Inp | 2432.00 | NIST | |
| Tboil | 925.73 | K | Joback Calculated Property |
| Tc | 1146.53 | K | Joback Calculated Property |
| Tfus | 605.18 | K | Joback Calculated Property |
| Vc | 1.087 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [822.16; 875.16] | J/mol×K | [925.73; 1146.53] |
|
| Cp,gas | 822.16 | J/mol×K | 925.73 | Joback Calculated Property |
| Cp,gas | 833.61 | J/mol×K | 962.53 | Joback Calculated Property |
| Cp,gas | 843.97 | J/mol×K | 999.33 | Joback Calculated Property |
| Cp,gas | 853.27 | J/mol×K | 1036.13 | Joback Calculated Property |
| Cp,gas | 861.54 | J/mol×K | 1072.93 | Joback Calculated Property |
| Cp,gas | 868.83 | J/mol×K | 1109.73 | Joback Calculated Property |
| Cp,gas | 875.16 | J/mol×K | 1146.53 | Joback Calculated Property |
| η | [0.0000462; 0.0003230] | Pa×s | [605.18; 925.73] |
|
| η | 0.0003230 | Pa×s | 605.18 | Joback Calculated Property |
| η | 0.0002048 | Pa×s | 658.61 | Joback Calculated Property |
| η | 0.0001391 | Pa×s | 712.03 | Joback Calculated Property |
| η | 0.0000997 | Pa×s | 765.46 | Joback Calculated Property |
| η | 0.0000746 | Pa×s | 818.88 | Joback Calculated Property |
| η | 0.0000579 | Pa×s | 872.31 | Joback Calculated Property |
| η | 0.0000462 | Pa×s | 925.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 2,4-dichloro-6-formylphenyl hexyl ester.
Sources
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