- InChI
- InChI=1S/C16H30O3/c1-7-9-10-13(8-2)11-19-15(18)16(5,6)14(17)12(3)4/h12-13H,7-11H2,1-6H3
- InChI Key
- ZNMKKKLXWORYSF-UHFFFAOYSA-N
- Formula
- C16H30O3
- SMILES
-
CCCCC(CC)COC(=O)C(C)(C)C(=O)C(
C)C - Molecular Weight1
- 270.41
- CAS
- 4447-76-1
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- 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 |
|---|---|---|---|
| ΔfG° | -281.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -750.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.04 | kJ/mol | Joback Calculated Property |
| log10WS | -3.94 | Crippen Calculated Property | |
| logPoct/wat | 3.997 | Crippen Calculated Property | |
| McVol | 245.310 | ml/mol | McGowan Calculated Property |
| Pc | 1467.98 | kPa | Joback Calculated Property |
| Tboil | 691.53 | K | Joback Calculated Property |
| Tc | 878.10 | K | Joback Calculated Property |
| Tfus | 364.59 | K | Joback Calculated Property |
| Vc | 0.939 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [706.79; 799.27] | J/mol×K | [691.53; 878.10] | 
|
| Cp,gas | 706.79 | J/mol×K | 691.53 | Joback Calculated Property |
| Cp,gas | 724.47 | J/mol×K | 722.62 | Joback Calculated Property |
| Cp,gas | 741.21 | J/mol×K | 753.72 | Joback Calculated Property |
| Cp,gas | 757.02 | J/mol×K | 784.81 | Joback Calculated Property |
| Cp,gas | 771.95 | J/mol×K | 815.91 | Joback Calculated Property |
| Cp,gas | 786.02 | J/mol×K | 847.00 | Joback Calculated Property |
| Cp,gas | 799.27 | J/mol×K | 878.10 | Joback Calculated Property |
| η | [0.0000876; 0.0030894] | Pa×s | [364.59; 691.53] |
|
| η | 0.0030894 | Pa×s | 364.59 | Joback Calculated Property |
| η | 0.0011596 | Pa×s | 419.08 | Joback Calculated Property |
| η | 0.0005454 | Pa×s | 473.57 | Joback Calculated Property |
| η | 0.0002997 | Pa×s | 528.06 | Joback Calculated Property |
| η | 0.0001842 | Pa×s | 582.55 | Joback Calculated Property |
| η | 0.0001231 | Pa×s | 637.04 | Joback Calculated Property |
| η | 0.0000876 | Pa×s | 691.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,4-Trimethyl-3-oxovaleric acid, 2-ethylhexyl ester.
Sources
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