- InChI
- InChI=1S/C12H22O4/c1-7-15-9(13)12(5,6)10(14)16-8-11(2,3)4/h7-8H2,1-6H3
- InChI Key
- YXUCGPFCFPXRAL-UHFFFAOYSA-N
- Formula
- C12H22O4
- SMILES
- CCOC(=O)C(C)(C)C(=O)OCC(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 | 0.5865 | Relay (1.0) Calculated Property | |
| ΔfG° | -412.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -948.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.165 | Crippen Calculated Property | |
| McVol | 194.820 | ml/mol | McGowan Calculated Property |
| Pc | 1992.98 | kPa | Joback Calculated Property |
| Inp | 1270.00 | NIST | |
| Tboil | 495.86 | K | Relay (1.0) Calculated Property |
| Tc | 678.15 | K | Relay (1.0) Calculated Property |
| Tfus | 304.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.749 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.98; 603.78] | J/mol×K | [620.08; 815.26] | 
|
| Cp,gas | 521.98 | J/mol×K | 620.08 | Joback Calculated Property |
| Cp,gas | 537.75 | J/mol×K | 652.61 | Joback Calculated Property |
| Cp,gas | 552.63 | J/mol×K | 685.14 | Joback Calculated Property |
| Cp,gas | 566.64 | J/mol×K | 717.67 | Joback Calculated Property |
| Cp,gas | 579.82 | J/mol×K | 750.20 | Joback Calculated Property |
| Cp,gas | 592.18 | J/mol×K | 782.73 | Joback Calculated Property |
| Cp,gas | 603.78 | J/mol×K | 815.26 | Joback Calculated Property |
| η | [0.0001179; 0.0019720] | Pa×s | [374.16; 620.08] |
|
| η | 0.0019720 | Pa×s | 374.16 | Joback Calculated Property |
| η | 0.0009780 | Pa×s | 415.15 | Joback Calculated Property |
| η | 0.0005501 | Pa×s | 456.13 | Joback Calculated Property |
| η | 0.0003403 | Pa×s | 497.12 | Joback Calculated Property |
| η | 0.0002264 | Pa×s | 538.11 | Joback Calculated Property |
| η | 0.0001596 | Pa×s | 579.09 | Joback Calculated Property |
| η | 0.0001179 | Pa×s | 620.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, ethyl neopentyl ester.
Sources
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