- InChI
- InChI=1S/C13H12Cl4O3/c1-3-13(4-2,11(17)18)12(19)20-9-6-7(14)5-8(15)10(9)16/h5-6H,3-4H2,1-2H3
- InChI Key
- PKJUNMOLCUXJDB-UHFFFAOYSA-N
- Formula
- C13H12Cl4O3
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)Oc1cc(Cl)
cc(Cl)c1Cl - Molecular Weight1
- 358.05
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6599 | Relay (1.0) Calculated Property | |
| ΔfG° | -265.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -574.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.124 | Crippen Calculated Property | |
| McVol | 228.240 | ml/mol | McGowan Calculated Property |
| Pc | 2066.12 | kPa | Joback Calculated Property |
| Inp | 2115.00 | NIST | |
| Tboil | 589.66 | K | Relay (1.0) Calculated Property |
| Tc | 861.31 | K | Relay (1.0) Calculated Property |
| Tfus | 347.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.777 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [554.02; 601.21] | J/mol×K | [815.11; 1050.07] | 
|
| Cp,gas | 554.02 | J/mol×K | 815.11 | Joback Calculated Property |
| Cp,gas | 563.93 | J/mol×K | 854.27 | Joback Calculated Property |
| Cp,gas | 572.96 | J/mol×K | 893.43 | Joback Calculated Property |
| Cp,gas | 581.16 | J/mol×K | 932.59 | Joback Calculated Property |
| Cp,gas | 588.57 | J/mol×K | 971.75 | Joback Calculated Property |
| Cp,gas | 595.24 | J/mol×K | 1010.91 | Joback Calculated Property |
| Cp,gas | 601.21 | J/mol×K | 1050.07 | Joback Calculated Property |
| η | [0.0000893; 0.0005412] | Pa×s | [544.44; 815.11] |
|
| η | 0.0005412 | Pa×s | 544.44 | Joback Calculated Property |
| η | 0.0003573 | Pa×s | 589.55 | Joback Calculated Property |
| η | 0.0002502 | Pa×s | 634.66 | Joback Calculated Property |
| η | 0.0001837 | Pa×s | 679.77 | Joback Calculated Property |
| η | 0.0001402 | Pa×s | 724.89 | Joback Calculated Property |
| η | 0.0001104 | Pa×s | 770.00 | Joback Calculated Property |
| η | 0.0000893 | Pa×s | 815.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, 2,3,5-trichlorophenyl ester.
Sources
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