- InChI
- InChI=1S/C14H26O4/c1-7-8-11(4)18-13(16)14(5,6)12(15)17-9-10(2)3/h10-11H,7-9H2,1-6H3
- InChI Key
- OBGWFDUVCOJBLM-UHFFFAOYSA-N
- Formula
- C14H26O4
- SMILES
-
CCCC(C)OC(=O)C(C)(C)C(=O)OCC(C
)C - Molecular Weight1
- 258.36
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -995.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.944 | Crippen Calculated Property | |
| McVol | 223.000 | ml/mol | McGowan Calculated Property |
| Pc | 1578.46 | kPa | Joback Calculated Property |
| Inp | 1472.00 | NIST | |
| Tboil | 510.53 | K | Relay (1.0) Calculated Property |
| Tc | 701.66 | K | Relay (1.0) Calculated Property |
| Tfus | 229.22 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [612.02; 701.53] | J/mol×K | [632.25; 816.25] | 
|
| Cp,gas | 612.02 | J/mol×K | 632.25 | Joback Calculated Property |
| Cp,gas | 629.24 | J/mol×K | 662.92 | Joback Calculated Property |
| Cp,gas | 645.52 | J/mol×K | 693.58 | Joback Calculated Property |
| Cp,gas | 660.87 | J/mol×K | 724.25 | Joback Calculated Property |
| Cp,gas | 675.31 | J/mol×K | 754.92 | Joback Calculated Property |
| Cp,gas | 688.86 | J/mol×K | 785.59 | Joback Calculated Property |
| Cp,gas | 701.53 | J/mol×K | 816.25 | Joback Calculated Property |
| η | [0.0000748; 0.0077012] | Pa×s | [304.62; 632.25] |
|
| η | 0.0077012 | Pa×s | 304.62 | Joback Calculated Property |
| η | 0.0019777 | Pa×s | 359.23 | Joback Calculated Property |
| η | 0.0007270 | Pa×s | 413.83 | Joback Calculated Property |
| η | 0.0003375 | Pa×s | 468.44 | Joback Calculated Property |
| η | 0.0001839 | Pa×s | 523.04 | Joback Calculated Property |
| η | 0.0001124 | Pa×s | 577.64 | Joback Calculated Property |
| η | 0.0000748 | Pa×s | 632.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isobutyl 2-pentyl ester.
Sources
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