- InChI
- InChI=1S/C10H18O3/c1-6-13-9(12)10(4,5)8(11)7(2)3/h7H,6H2,1-5H3
- InChI Key
- IINVHMMMAUHNDG-UHFFFAOYSA-N
- Formula
- C10H18O3
- SMILES
- CCOC(=O)C(C)(C)C(=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).
- 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 | 0.4731 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -687.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.801 | Crippen Calculated Property | |
| McVol | 160.770 | ml/mol | McGowan Calculated Property |
| Pc | 2304.74 | kPa | Joback Calculated Property |
| Tboil | 470.95 | K | Relay (1.0) Calculated Property |
| Tc | 660.89 | K | Relay (1.0) Calculated Property |
| Tfus | 271.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.587 | 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 | [388.53; 466.07] | J/mol×K | [536.82; 729.17] | 
|
| Cp,gas | 388.53 | J/mol×K | 536.82 | Joback Calculated Property |
| Cp,gas | 403.38 | J/mol×K | 568.88 | Joback Calculated Property |
| Cp,gas | 417.43 | J/mol×K | 600.94 | Joback Calculated Property |
| Cp,gas | 430.70 | J/mol×K | 632.99 | Joback Calculated Property |
| Cp,gas | 443.21 | J/mol×K | 665.05 | Joback Calculated Property |
| Cp,gas | 454.99 | J/mol×K | 697.11 | Joback Calculated Property |
| Cp,gas | 466.07 | J/mol×K | 729.17 | Joback Calculated Property |
| η | [0.0001925; 0.0073521] | Pa×s | [282.14; 536.82] |
|
| η | 0.0073521 | Pa×s | 282.14 | Joback Calculated Property |
| η | 0.0026937 | Pa×s | 324.59 | Joback Calculated Property |
| η | 0.0012449 | Pa×s | 367.03 | Joback Calculated Property |
| η | 0.0006752 | Pa×s | 409.48 | Joback Calculated Property |
| η | 0.0004108 | Pa×s | 451.93 | Joback Calculated Property |
| η | 0.0002722 | Pa×s | 494.37 | Joback Calculated Property |
| η | 0.0001925 | Pa×s | 536.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,4-Trimethyl-3-oxovaleric acid, ethyl ester.
Sources
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