- InChI
- InChI=1S/C14H26O4/c1-10(2)8-17-11(15)14(6,7)12(16)18-9-13(3,4)5/h10H,8-9H2,1-7H3
- InChI Key
- LFRIQNIYNUVMTE-UHFFFAOYSA-N
- Formula
- C14H26O4
- SMILES
-
CC(C)COC(=O)C(C)(C)C(=O)OCC(C)
(C)C - Molecular Weight1
- 258.35
- 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 | 0.6529 | Relay (... Calculated Property | |
| ΔfG° | -397.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -996.03 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 19.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.41 | kJ/mol | Relay (... Calculated Property |
| IE | 9.76 | eV | Relay (... Calculated Property |
| log10WS | -3.46 | Relay (... Calculated Property | |
| logPoct/wat | 2.801 | Crippen Calculated Property | |
| McVol | 223.000 | ml/mol | McGowan Calculated Property |
| Pc | 1701.90 | kPa | Joback Calculated Property |
| Inp | [1416.00; 1416.00] |
|
|
| Inp | 1416.00 | NIST | |
| Inp | 1416.00 | NIST | |
| Tboil | 515.89 | K | Relay (... Calculated Property |
| Tc | 698.91 | K | Relay (... Calculated Property |
| Tfus | 293.49 | K | Relay (... Calculated Property |
| Vc | 0.861 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [627.85; 715.32] | J/mol×K | [665.40; 859.55] |
|
| Cp,gas | 627.85 | J/mol×K | 665.40 | Joback Calculated Property |
| Cp,gas | 644.76 | J/mol×K | 697.76 | Joback Calculated Property |
| Cp,gas | 660.69 | J/mol×K | 730.12 | Joback Calculated Property |
| Cp,gas | 675.68 | J/mol×K | 762.48 | Joback Calculated Property |
| Cp,gas | 689.75 | J/mol×K | 794.84 | Joback Calculated Property |
| Cp,gas | 702.96 | J/mol×K | 827.19 | Joback Calculated Property |
| Cp,gas | 715.32 | J/mol×K | 859.55 | Joback Calculated Property |
| η | [0.0000815; 0.0020424] | Pa×s | [381.70; 665.40] |
|
| η | 0.0020424 | Pa×s | 381.70 | Joback Calculated Property |
| η | 0.0008881 | Pa×s | 428.98 | Joback Calculated Property |
| η | 0.0004556 | Pa×s | 476.27 | Joback Calculated Property |
| η | 0.0002637 | Pa×s | 523.55 | Joback Calculated Property |
| η | 0.0001671 | Pa×s | 570.83 | Joback Calculated Property |
| η | 0.0001135 | Pa×s | 618.12 | Joback Calculated Property |
| η | 0.0000815 | Pa×s | 665.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isobutyl neopentyl ester.
Sources
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