- InChI
- InChI=1S/C12H22O4/c1-6-15-10(13)7-11(14)16-12(8(2)3)9(4)5/h8-9,12H,6-7H2,1-5H3
- InChI Key
- ANRPBMPCJBBSHU-UHFFFAOYSA-N
- Formula
- C12H22O4
- SMILES
- CCOC(=O)CC(=O)OC(C(C)C)C(C)C
- Molecular Weight1
- 230.30
- 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 | 0.6279 | Relay (1.0) Calculated Property | |
| ΔfG° | -425.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -944.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.163 | Crippen Calculated Property | |
| McVol | 194.820 | ml/mol | McGowan Calculated Property |
| Pc | 1968.30 | kPa | Joback Calculated Property |
| Inp | 1398.00 | NIST | |
| Tboil | 520.65 | K | Relay (1.0) Calculated Property |
| Tc | 689.96 | K | Relay (1.0) Calculated Property |
| Tfus | 207.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.702 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [517.23; 598.87] | J/mol×K | [625.22; 811.54] | 
|
| Cp,gas | 517.23 | J/mol×K | 625.22 | Joback Calculated Property |
| Cp,gas | 532.64 | J/mol×K | 656.27 | Joback Calculated Property |
| Cp,gas | 547.33 | J/mol×K | 687.33 | Joback Calculated Property |
| Cp,gas | 561.29 | J/mol×K | 718.38 | Joback Calculated Property |
| Cp,gas | 574.54 | J/mol×K | 749.44 | Joback Calculated Property |
| Cp,gas | 587.06 | J/mol×K | 780.49 | Joback Calculated Property |
| Cp,gas | 598.87 | J/mol×K | 811.54 | Joback Calculated Property |
| η | [0.0001230; 0.0036813] | Pa×s | [324.32; 625.22] |
|
| η | 0.0036813 | Pa×s | 324.32 | Joback Calculated Property |
| η | 0.0014297 | Pa×s | 374.47 | Joback Calculated Property |
| η | 0.0006943 | Pa×s | 424.62 | Joback Calculated Property |
| η | 0.0003927 | Pa×s | 474.77 | Joback Calculated Property |
| η | 0.0002477 | Pa×s | 524.92 | Joback Calculated Property |
| η | 0.0001693 | Pa×s | 575.07 | Joback Calculated Property |
| η | 0.0001230 | Pa×s | 625.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, 2,4-dimethylpent-3-yl ethyl ester.
Sources
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