- InChI
- InChI=1S/C15H24O2/c1-14(2,3)11-7-10(9-16)13(17)12(8-11)15(4,5)6/h7-8,16-17H,9H2,1-6H3
- InChI Key
- JRMFJJFKLDMVQP-UHFFFAOYSA-N
- Formula
- C15H24O2
- SMILES
-
CC(C)(C)c1cc(CO)c(O)c(C(C)(C)C
)c1 - Molecular Weight1
- 236.35
- 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).
- 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 | -468.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.479 | Crippen Calculated Property | |
| McVol | 210.190 | ml/mol | McGowan Calculated Property |
| Inp | [1694.00; 1694.00] |
|
|
| Inp | 1694.00 | NIST | |
| Inp | 1694.00 | NIST | |
| Tboil | 576.01 | K | Relay (1.0) Calculated Property |
| Tfus | 381.15 | 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 | [621.98; 698.75] | J/mol×K | [745.78; 957.10] |
|
| Cp,gas | 621.98 | J/mol×K | 745.78 | Joback Calculated Property |
| Cp,gas | 636.34 | J/mol×K | 781.00 | Joback Calculated Property |
| Cp,gas | 649.92 | J/mol×K | 816.22 | Joback Calculated Property |
| Cp,gas | 662.85 | J/mol×K | 851.44 | Joback Calculated Property |
| Cp,gas | 675.21 | J/mol×K | 886.66 | Joback Calculated Property |
| Cp,gas | 687.15 | J/mol×K | 921.88 | Joback Calculated Property |
| Cp,gas | 698.75 | J/mol×K | 957.10 | Joback Calculated Property |
| η | [0.0000018; 0.0001656] | Pa×s | [487.65; 745.78] |
|
| η | 0.0001656 | Pa×s | 487.65 | Joback Calculated Property |
| η | 0.0000575 | Pa×s | 530.67 | Joback Calculated Property |
| η | 0.0000234 | Pa×s | 573.69 | Joback Calculated Property |
| η | 0.0000108 | Pa×s | 616.71 | Joback Calculated Property |
| η | 0.0000055 | Pa×s | 659.74 | Joback Calculated Property |
| η | 0.0000030 | Pa×s | 702.76 | Joback Calculated Property |
| η | 0.0000018 | Pa×s | 745.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-tert-butyl-6-hydroxym ethyl-phenol.
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
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