- InChI
- InChI=1S/C13H26O3/c1-6-15-7-8-16-12(14)9-11(2)10-13(3,4)5/h11H,6-10H2,1-5H3
- InChI Key
- HJZJPDVJUZKWJK-UHFFFAOYSA-N
- Formula
- C13H26O3
- SMILES
- CCOCCOC(=O)CC(C)CC(C)(C)C
- Molecular Weight1
- 230.35
- 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).
- 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 | -780.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.82 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.028 | Crippen Calculated Property | |
| McVol | 207.340 | ml/mol | McGowan Calculated Property |
| Pc | 1664.61 | kPa | Joback Calculated Property |
| Inp | 1422.00 | NIST | |
| Tboil | 506.14 | K | Relay (1.0) Calculated Property |
| Tc | 688.53 | K | Relay (1.0) Calculated Property |
| Tfus | 225.64 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [539.22; 632.06] | J/mol×K | [574.01; 751.19] | 
|
| Cp,gas | 539.22 | J/mol×K | 574.01 | Joback Calculated Property |
| Cp,gas | 556.67 | J/mol×K | 603.54 | Joback Calculated Property |
| Cp,gas | 573.31 | J/mol×K | 633.07 | Joback Calculated Property |
| Cp,gas | 589.16 | J/mol×K | 662.60 | Joback Calculated Property |
| Cp,gas | 604.22 | J/mol×K | 692.13 | Joback Calculated Property |
| Cp,gas | 618.51 | J/mol×K | 721.66 | Joback Calculated Property |
| Cp,gas | 632.06 | J/mol×K | 751.19 | Joback Calculated Property |
| η | [0.0001051; 0.0058252] | Pa×s | [288.25; 574.01] |
|
| η | 0.0058252 | Pa×s | 288.25 | Joback Calculated Property |
| η | 0.0018563 | Pa×s | 335.88 | Joback Calculated Property |
| η | 0.0007859 | Pa×s | 383.50 | Joback Calculated Property |
| η | 0.0004023 | Pa×s | 431.13 | Joback Calculated Property |
| η | 0.0002353 | Pa×s | 478.76 | Joback Calculated Property |
| η | 0.0001516 | Pa×s | 526.38 | Joback Calculated Property |
| η | 0.0001051 | Pa×s | 574.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethoxyethyl 3,5,5-trimethylhexanoate.
Sources
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