- InChI
- InChI=1S/C10H18O3/c1-7(2)9(11)6-5-8(3)10(12)13-4/h7-8H,5-6H2,1-4H3
- InChI Key
- UDVSCIOUANKHJU-UHFFFAOYSA-N
- Formula
- C10H18O3
- SMILES
- COC(=O)C(C)CCC(=O)C(C)C
- Molecular Weight1
- 186.25
- ω : Acentric Factor.
- 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).
- 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 | 0.5359 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -687.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.801 | Crippen Calculated Property | |
| McVol | 160.770 | ml/mol | McGowan Calculated Property |
| Pc | 2280.59 | kPa | Joback Calculated Property |
| Inp | 1243.00 | NIST | |
| Tboil | 476.37 | K | Relay (1.0) Calculated Property |
| Tc | 666.06 | K | Relay (1.0) Calculated Property |
| Tfus | 275.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.586 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 | [385.66; 461.56] | J/mol×K | [539.61; 725.06] | 
|
| Cp,gas | 385.66 | J/mol×K | 539.61 | Joback Calculated Property |
| Cp,gas | 399.93 | J/mol×K | 570.52 | Joback Calculated Property |
| Cp,gas | 413.54 | J/mol×K | 601.43 | Joback Calculated Property |
| Cp,gas | 426.50 | J/mol×K | 632.33 | Joback Calculated Property |
| Cp,gas | 438.82 | J/mol×K | 663.24 | Joback Calculated Property |
| Cp,gas | 450.51 | J/mol×K | 694.15 | Joback Calculated Property |
| Cp,gas | 461.56 | J/mol×K | 725.06 | Joback Calculated Property |
| η | [0.0001932; 0.0084525] | Pa×s | [264.72; 539.61] |
|
| η | 0.0084525 | Pa×s | 264.72 | Joback Calculated Property |
| η | 0.0028295 | Pa×s | 310.54 | Joback Calculated Property |
| η | 0.0012550 | Pa×s | 356.35 | Joback Calculated Property |
| η | 0.0006699 | Pa×s | 402.16 | Joback Calculated Property |
| η | 0.0004066 | Pa×s | 447.98 | Joback Calculated Property |
| η | 0.0002707 | Pa×s | 493.79 | Joback Calculated Property |
| η | 0.0001932 | Pa×s | 539.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl-2,6-Dimethyl-5-oxoheptanoate.
Sources
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