- InChI
- InChI=1S/C9H14Cl2O4/c1-6(2)4-14-8(12)3-9(13)15-5-7(10)11/h6-7H,3-5H2,1-2H3
- InChI Key
- ZAUJNOGWWYTMRR-UHFFFAOYSA-N
- Formula
- C9H14Cl2O4
- SMILES
- CC(C)COC(=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 | 0.6440 | Relay (1.0) Calculated Property | |
| ΔfG° | -471.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -917.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.923 | Crippen Calculated Property | |
| McVol | 177.030 | ml/mol | McGowan Calculated Property |
| Pc | 2384.19 | kPa | Joback Calculated Property |
| Inp | 1519.00 | NIST | |
| Tboil | 538.19 | K | Relay (1.0) Calculated Property |
| Tc | 723.04 | K | Relay (1.0) Calculated Property |
| Tfus | 251.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.644 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [421.34; 482.04] | J/mol×K | [631.88; 829.29] | 
|
| Cp,gas | 421.34 | J/mol×K | 631.88 | Joback Calculated Property |
| Cp,gas | 433.00 | J/mol×K | 664.78 | Joback Calculated Property |
| Cp,gas | 444.04 | J/mol×K | 697.68 | Joback Calculated Property |
| Cp,gas | 454.47 | J/mol×K | 730.58 | Joback Calculated Property |
| Cp,gas | 464.28 | J/mol×K | 763.48 | Joback Calculated Property |
| Cp,gas | 473.47 | J/mol×K | 796.39 | Joback Calculated Property |
| Cp,gas | 482.04 | J/mol×K | 829.29 | Joback Calculated Property |
| η | [0.0001579; 0.0022806] | Pa×s | [365.35; 631.88] |
|
| η | 0.0022806 | Pa×s | 365.35 | Joback Calculated Property |
| η | 0.0011482 | Pa×s | 409.77 | Joback Calculated Property |
| η | 0.0006611 | Pa×s | 454.19 | Joback Calculated Property |
| η | 0.0004200 | Pa×s | 498.62 | Joback Calculated Property |
| η | 0.0002874 | Pa×s | 543.04 | Joback Calculated Property |
| η | 0.0002083 | Pa×s | 587.46 | Joback Calculated Property |
| η | 0.0001579 | Pa×s | 631.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, 2,2-dichloroethyl isobutyl ester.
Sources
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