- InChI
- InChI=1S/C9H14Cl2O4/c1-2-3-4-14-8(12)5-9(13)15-6-7(10)11/h7H,2-6H2,1H3
- InChI Key
- OXMJTLDSJUOPRS-UHFFFAOYSA-N
- Formula
- C9H14Cl2O4
- SMILES
- CCCCOC(=O)CC(=O)OCC(Cl)Cl
- Molecular Weight1
- 257.11
- 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 | 0.6717 | Relay (1.0) Calculated Property | |
| ΔfG° | -469.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -902.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.067 | Crippen Calculated Property | |
| McVol | 177.030 | ml/mol | McGowan Calculated Property |
| Pc | 2365.67 | kPa | Joback Calculated Property |
| Inp | 1557.00 | NIST | |
| Tboil | 541.49 | K | Relay (1.0) Calculated Property |
| Tc | 726.72 | K | Relay (1.0) Calculated Property |
| Tfus | 226.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.650 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [420.84; 480.52] | J/mol×K | [632.32; 826.21] | 
|
| Cp,gas | 420.84 | J/mol×K | 632.32 | Joback Calculated Property |
| Cp,gas | 432.25 | J/mol×K | 664.64 | Joback Calculated Property |
| Cp,gas | 443.08 | J/mol×K | 696.95 | Joback Calculated Property |
| Cp,gas | 453.33 | J/mol×K | 729.27 | Joback Calculated Property |
| Cp,gas | 462.98 | J/mol×K | 761.58 | Joback Calculated Property |
| Cp,gas | 472.05 | J/mol×K | 793.90 | Joback Calculated Property |
| Cp,gas | 480.52 | J/mol×K | 826.21 | Joback Calculated Property |
| η | [0.0001696; 0.0018392] | Pa×s | [380.35; 632.32] |
|
| η | 0.0018392 | Pa×s | 380.35 | Joback Calculated Property |
| η | 0.0010147 | Pa×s | 422.34 | Joback Calculated Property |
| η | 0.0006234 | Pa×s | 464.34 | Joback Calculated Property |
| η | 0.0004153 | Pa×s | 506.33 | Joback Calculated Property |
| η | 0.0002944 | Pa×s | 548.33 | Joback Calculated Property |
| η | 0.0002191 | Pa×s | 590.32 | Joback Calculated Property |
| η | 0.0001696 | Pa×s | 632.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, butyl 2,2-dichloroethyl ester.
Sources
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