- InChI
- InChI=1S/C13H14Cl2O3/c1-3-13(4-2,11(15)16)12(17)18-10-8-6-5-7-9(10)14/h5-8H,3-4H2,1-2H3
- InChI Key
- NNXBFWGWMZXTHU-UHFFFAOYSA-N
- Formula
- C13H14Cl2O3
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)Oc1ccccc1
Cl - Molecular Weight1
- 289.15
- 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° | -222.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -484.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.85 | kJ/mol | Joback Calculated Property |
| log10WS | -4.25 | Crippen Calculated Property | |
| logPoct/wat | 3.817 | Crippen Calculated Property | |
| McVol | 203.760 | ml/mol | McGowan Calculated Property |
| Pc | 2276.24 | kPa | Joback Calculated Property |
| Inp | [1820.00; 1820.00] |
|
|
| Inp | 1820.00 | NIST | |
| Inp | 1820.00 | NIST | |
| Tboil | 730.29 | K | Joback Calculated Property |
| Tc | 958.68 | K | Joback Calculated Property |
| Tfus | 459.56 | K | Joback Calculated Property |
| Vc | 0.772 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [514.54; 575.13] | J/mol×K | [730.29; 958.68] |
|
| Cp,gas | 514.54 | J/mol×K | 730.29 | Joback Calculated Property |
| Cp,gas | 526.93 | J/mol×K | 768.35 | Joback Calculated Property |
| Cp,gas | 538.33 | J/mol×K | 806.42 | Joback Calculated Property |
| Cp,gas | 548.79 | J/mol×K | 844.48 | Joback Calculated Property |
| Cp,gas | 558.38 | J/mol×K | 882.55 | Joback Calculated Property |
| Cp,gas | 567.14 | J/mol×K | 920.61 | Joback Calculated Property |
| Cp,gas | 575.13 | J/mol×K | 958.68 | Joback Calculated Property |
| η | [0.0001180; 0.0010535] | Pa×s | [459.56; 730.29] |
|
| η | 0.0010535 | Pa×s | 459.56 | Joback Calculated Property |
| η | 0.0006213 | Pa×s | 504.68 | Joback Calculated Property |
| η | 0.0003996 | Pa×s | 549.80 | Joback Calculated Property |
| η | 0.0002748 | Pa×s | 594.92 | Joback Calculated Property |
| η | 0.0001992 | Pa×s | 640.05 | Joback Calculated Property |
| η | 0.0001507 | Pa×s | 685.17 | Joback Calculated Property |
| η | 0.0001180 | Pa×s | 730.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, 2-chlorophenyl ester.
Sources
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