- InChI
- InChI=1S/C16H26O2/c1-8-18-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h9-10,17H,8H2,1-7H3
- InChI Key
- YQQQXXUABFURLN-UHFFFAOYSA-N
- Formula
- C16H26O2
- SMILES
-
CCOc1cc(C(C)(C)C)c(O)c(C(C)(C)
C)c1 - Molecular Weight1
- 250.38
- CAS
- 5442-35-3
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point 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 | -464.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.70 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.386 | Crippen Calculated Property | |
| McVol | 224.280 | ml/mol | McGowan Calculated Property |
| Inp | 1575.00 | NIST | |
| Tboil | 559.25 | K | Relay (1.0) Calculated Property |
| Tfus | 363.84 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [643.65; 735.92] | J/mol×K | [698.70; 918.63] | 
|
| Cp,gas | 643.65 | J/mol×K | 698.70 | Joback Calculated Property |
| Cp,gas | 661.35 | J/mol×K | 735.35 | Joback Calculated Property |
| Cp,gas | 677.97 | J/mol×K | 772.01 | Joback Calculated Property |
| Cp,gas | 693.63 | J/mol×K | 808.66 | Joback Calculated Property |
| Cp,gas | 708.43 | J/mol×K | 845.32 | Joback Calculated Property |
| Cp,gas | 722.49 | J/mol×K | 881.97 | Joback Calculated Property |
| Cp,gas | 735.92 | J/mol×K | 918.63 | Joback Calculated Property |
| η | [0.0000076; 0.0002782] | Pa×s | [460.33; 698.70] |
|
| η | 0.0002782 | Pa×s | 460.33 | Joback Calculated Property |
| η | 0.0001202 | Pa×s | 500.06 | Joback Calculated Property |
| η | 0.0000587 | Pa×s | 539.79 | Joback Calculated Property |
| η | 0.0000317 | Pa×s | 579.52 | Joback Calculated Property |
| η | 0.0000185 | Pa×s | 619.24 | Joback Calculated Property |
| η | 0.0000115 | Pa×s | 658.97 | Joback Calculated Property |
| η | 0.0000076 | Pa×s | 698.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethoxy-.
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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