- InChI
- InChI=1S/C17H34O2/c1-13(10-16(3,4)5)9-15(18)19-12-14(2)11-17(6,7)8/h13-14H,9-12H2,1-8H3
- InChI Key
- FINRZAGSLZQHHT-UHFFFAOYSA-N
- Formula
- C17H34O2
- SMILES
-
CC(COC(=O)CC(C)CC(C)(C)C)CC(C)
(C)C - Molecular Weight1
- 270.46
- 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).
- I : 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -774.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.68 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.064 | Crippen Calculated Property | |
| McVol | 257.830 | ml/mol | McGowan Calculated Property |
| I | [1706.00; 1706.00] |
|
|
| I | 1706.00 | NIST | |
| I | 1706.00 | NIST | |
| Tboil | 534.07 | K | Relay (1.0) Calculated Property |
| Tc | 721.79 | K | Relay (1.0) Calculated Property |
| Tfus | 263.41 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, 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 | [728.69; 835.69] | J/mol×K | [639.44; 823.08] |
|
| Cp,gas | 728.69 | J/mol×K | 639.44 | Joback Calculated Property |
| Cp,gas | 749.17 | J/mol×K | 670.05 | Joback Calculated Property |
| Cp,gas | 768.53 | J/mol×K | 700.65 | Joback Calculated Property |
| Cp,gas | 786.82 | J/mol×K | 731.26 | Joback Calculated Property |
| Cp,gas | 804.08 | J/mol×K | 761.87 | Joback Calculated Property |
| Cp,gas | 820.35 | J/mol×K | 792.47 | Joback Calculated Property |
| Cp,gas | 835.69 | J/mol×K | 823.08 | Joback Calculated Property |
| η | [0.0000638; 0.0105110] | Pa×s | [298.52; 639.44] |
|
| η | 0.0105110 | Pa×s | 298.52 | Joback Calculated Property |
| η | 0.0022745 | Pa×s | 355.34 | Joback Calculated Property |
| η | 0.0007506 | Pa×s | 412.16 | Joback Calculated Property |
| η | 0.0003240 | Pa×s | 468.98 | Joback Calculated Property |
| η | 0.0001677 | Pa×s | 525.80 | Joback Calculated Property |
| η | 0.0000987 | Pa×s | 582.62 | Joback Calculated Property |
| η | 0.0000638 | Pa×s | 639.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,4-trimethyl pentyl 3,5,5-trimethyl hexanoate.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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