- 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° | -577.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -944.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.48 | 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 | 1832.54 | kPa | Joback Calculated Property |
| Inp | 1398.00 | NIST | |
| Tboil | 520.65 | K | Relay (1.0) Calculated Property |
| Tc | 694.60 | K | Relay (1.0) Calculated Property |
| Tfus | 204.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.705 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [504.87; 588.93] | J/mol×K | [589.28; 770.85] | 
|
| Cp,gas | 504.87 | J/mol×K | 589.28 | Joback Calculated Property |
| Cp,gas | 520.80 | J/mol×K | 619.54 | Joback Calculated Property |
| Cp,gas | 535.95 | J/mol×K | 649.80 | Joback Calculated Property |
| Cp,gas | 550.34 | J/mol×K | 680.06 | Joback Calculated Property |
| Cp,gas | 563.96 | J/mol×K | 710.33 | Joback Calculated Property |
| Cp,gas | 576.83 | J/mol×K | 740.59 | Joback Calculated Property |
| Cp,gas | 588.93 | J/mol×K | 770.85 | Joback Calculated Property |
| η | [0.0001044; 0.0134264] | Pa×s | [264.66; 589.28] |
|
| η | 0.0134264 | Pa×s | 264.66 | Joback Calculated Property |
| η | 0.0030068 | Pa×s | 318.76 | Joback Calculated Property |
| η | 0.0010395 | Pa×s | 372.87 | Joback Calculated Property |
| η | 0.0004704 | Pa×s | 426.97 | Joback Calculated Property |
| η | 0.0002544 | Pa×s | 481.07 | Joback Calculated Property |
| η | 0.0001558 | Pa×s | 535.18 | Joback Calculated Property |
| η | 0.0001044 | Pa×s | 589.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, 2,4-dimethylpent-3-yl ethyl ester.
Sources
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