- InChI
- InChI=1S/C14H26O5/c1-6-14(7-2,12(15)18-9-8-17-5)13(16)19-10-11(3)4/h11H,6-10H2,1-5H3
- InChI Key
- SPYJIKSVBPVIQZ-UHFFFAOYSA-N
- Formula
- C14H26O5
- SMILES
-
CCC(CC)(C(=O)OCCOC)C(=O)OCC(C)
C - Molecular Weight1
- 274.36
- 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 | -1064.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.182 | Crippen Calculated Property | |
| McVol | 228.870 | ml/mol | McGowan Calculated Property |
| Pc | 1547.57 | kPa | Joback Calculated Property |
| Inp | 1570.00 | NIST | |
| Tboil | 556.25 | K | Relay (1.0) Calculated Property |
| Tc | 728.24 | K | Relay (1.0) Calculated Property |
| Tfus | 263.08 | 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 | [640.59; 726.62] | J/mol×K | [655.11; 835.71] | 
|
| Cp,gas | 640.59 | J/mol×K | 655.11 | Joback Calculated Property |
| Cp,gas | 657.14 | J/mol×K | 685.21 | Joback Calculated Property |
| Cp,gas | 672.78 | J/mol×K | 715.31 | Joback Calculated Property |
| Cp,gas | 687.55 | J/mol×K | 745.41 | Joback Calculated Property |
| Cp,gas | 701.43 | J/mol×K | 775.51 | Joback Calculated Property |
| Cp,gas | 714.45 | J/mol×K | 805.61 | Joback Calculated Property |
| Cp,gas | 726.62 | J/mol×K | 835.71 | Joback Calculated Property |
| η | [0.0000604; 0.0030709] | Pa×s | [341.85; 655.11] |
|
| η | 0.0030709 | Pa×s | 341.85 | Joback Calculated Property |
| η | 0.0010340 | Pa×s | 394.06 | Joback Calculated Property |
| η | 0.0004492 | Pa×s | 446.27 | Joback Calculated Property |
| η | 0.0002323 | Pa×s | 498.48 | Joback Calculated Property |
| η | 0.0001362 | Pa×s | 550.69 | Joback Calculated Property |
| η | 0.0000876 | Pa×s | 602.90 | Joback Calculated Property |
| η | 0.0000604 | Pa×s | 655.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, isobutyl 2-methoxyethyl ester.
Sources
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