- InChI
- InChI=1S/C15H28O5/c1-12(2)10-19-14(16)6-5-7-15(17)20-11-13(3)8-9-18-4/h12-13H,5-11H2,1-4H3
- InChI Key
- YSXGHYOJERFLDI-UHFFFAOYSA-N
- Formula
- C15H28O5
- SMILES
- COCCC(C)COC(=O)CCCC(=O)OCC(C)C
- Molecular Weight1
- 288.38
- 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 | -1117.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.572 | Crippen Calculated Property | |
| McVol | 242.960 | ml/mol | McGowan Calculated Property |
| Pc | 1425.07 | kPa | Joback Calculated Property |
| Inp | 1925.00 | NIST | |
| Tboil | 588.50 | K | Relay (1.0) Calculated Property |
| Tc | 739.16 | K | Relay (1.0) Calculated Property |
| Tfus | 235.60 | 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 | [693.51; 780.80] | J/mol×K | [680.78; 856.43] | 
|
| Cp,gas | 693.51 | J/mol×K | 680.78 | Joback Calculated Property |
| Cp,gas | 710.22 | J/mol×K | 710.06 | Joback Calculated Property |
| Cp,gas | 726.07 | J/mol×K | 739.33 | Joback Calculated Property |
| Cp,gas | 741.05 | J/mol×K | 768.61 | Joback Calculated Property |
| Cp,gas | 755.16 | J/mol×K | 797.88 | Joback Calculated Property |
| Cp,gas | 768.42 | J/mol×K | 827.16 | Joback Calculated Property |
| Cp,gas | 780.80 | J/mol×K | 856.43 | Joback Calculated Property |
| η | [0.0000563; 0.0033200] | Pa×s | [335.70; 680.78] |
|
| η | 0.0033200 | Pa×s | 335.70 | Joback Calculated Property |
| η | 0.0010239 | Pa×s | 393.21 | Joback Calculated Property |
| η | 0.0004263 | Pa×s | 450.73 | Joback Calculated Property |
| η | 0.0002164 | Pa×s | 508.24 | Joback Calculated Property |
| η | 0.0001261 | Pa×s | 565.75 | Joback Calculated Property |
| η | 0.0000812 | Pa×s | 623.27 | Joback Calculated Property |
| η | 0.0000563 | Pa×s | 680.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl 4-methoxy-2-methylbutyl ester.
Sources
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