- InChI
- InChI=1S/C14H15Cl3O4/c1-4-5-20-12(18)14(2,3)13(19)21-11-9(16)6-8(15)7-10(11)17/h6-7H,4-5H2,1-3H3
- InChI Key
- VULSHHCHBHVVTO-UHFFFAOYSA-N
- Formula
- C14H15Cl3O4
- SMILES
-
CCCOC(=O)C(C)(C)C(=O)Oc1c(Cl)c
c(Cl)cc1Cl - Molecular Weight1
- 353.62
- 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° | -350.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -675.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.19 | kJ/mol | Joback Calculated Property |
| log10WS | -4.97 | Crippen Calculated Property | |
| logPoct/wat | 4.532 | Crippen Calculated Property | |
| McVol | 235.960 | ml/mol | McGowan Calculated Property |
| Pc | 1930.44 | kPa | Joback Calculated Property |
| Inp | [2085.00; 2085.00] |
|
|
| Inp | 2085.00 | NIST | |
| Inp | 2085.00 | NIST | |
| Tboil | 822.98 | K | Joback Calculated Property |
| Tc | 1049.66 | K | Joback Calculated Property |
| Tfus | 548.02 | K | Joback Calculated Property |
| Vc | 0.895 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [611.60; 663.93] | J/mol×K | [822.98; 1049.66] |
|
| Cp,gas | 611.60 | J/mol×K | 822.98 | Joback Calculated Property |
| Cp,gas | 622.67 | J/mol×K | 860.76 | Joback Calculated Property |
| Cp,gas | 632.78 | J/mol×K | 898.54 | Joback Calculated Property |
| Cp,gas | 641.93 | J/mol×K | 936.32 | Joback Calculated Property |
| Cp,gas | 650.15 | J/mol×K | 974.10 | Joback Calculated Property |
| Cp,gas | 657.48 | J/mol×K | 1011.88 | Joback Calculated Property |
| Cp,gas | 663.93 | J/mol×K | 1049.66 | Joback Calculated Property |
| η | [0.0000672; 0.0004186] | Pa×s | [548.02; 822.98] |
|
| η | 0.0004186 | Pa×s | 548.02 | Joback Calculated Property |
| η | 0.0002744 | Pa×s | 593.85 | Joback Calculated Property |
| η | 0.0001911 | Pa×s | 639.67 | Joback Calculated Property |
| η | 0.0001397 | Pa×s | 685.50 | Joback Calculated Property |
| η | 0.0001062 | Pa×s | 731.33 | Joback Calculated Property |
| η | 0.0000834 | Pa×s | 777.15 | Joback Calculated Property |
| η | 0.0000672 | Pa×s | 822.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, propyl 2,4,6-trichlorophenyl ester.
Sources
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