- InChI
- InChI=1S/C14H26O4/c1-5-6-7-8-12(4)18-14(16)9-13(15)17-10-11(2)3/h11-12H,5-10H2,1-4H3
- InChI Key
- JZNNYJDLUFLJJR-UHFFFAOYSA-N
- Formula
- C14H26O4
- SMILES
- CCCCCC(C)OC(=O)CC(=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 | -999.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.088 | Crippen Calculated Property | |
| McVol | 223.000 | ml/mol | McGowan Calculated Property |
| Pc | 1554.90 | kPa | Joback Calculated Property |
| Inp | [1595.00; 1595.00] |
|
|
| Inp | 1595.00 | NIST | |
| Inp | 1595.00 | NIST | |
| Tboil | 535.52 | K | Relay (1.0) Calculated Property |
| Tc | 715.15 | K | Relay (1.0) Calculated Property |
| Tfus | 207.92 | 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 | [609.31; 696.71] | J/mol×K | [635.48; 811.53] |
|
| Cp,gas | 609.31 | J/mol×K | 635.48 | Joback Calculated Property |
| Cp,gas | 625.90 | J/mol×K | 664.82 | Joback Calculated Property |
| Cp,gas | 641.67 | J/mol×K | 694.16 | Joback Calculated Property |
| Cp,gas | 656.63 | J/mol×K | 723.51 | Joback Calculated Property |
| Cp,gas | 670.79 | J/mol×K | 752.85 | Joback Calculated Property |
| Cp,gas | 684.14 | J/mol×K | 782.19 | Joback Calculated Property |
| Cp,gas | 696.71 | J/mol×K | 811.53 | Joback Calculated Property |
| η | [0.0000855; 0.0063664] | Pa×s | [302.20; 635.48] |
|
| η | 0.0063664 | Pa×s | 302.20 | Joback Calculated Property |
| η | 0.0017769 | Pa×s | 357.75 | Joback Calculated Property |
| η | 0.0006989 | Pa×s | 413.29 | Joback Calculated Property |
| η | 0.0003429 | Pa×s | 468.84 | Joback Calculated Property |
| η | 0.0001957 | Pa×s | 524.39 | Joback Calculated Property |
| η | 0.0001243 | Pa×s | 579.93 | Joback Calculated Property |
| η | 0.0000855 | Pa×s | 635.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, 2-heptyl isobutyl ester.
Sources
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