- InChI
- InChI=1S/C11H16O2/c1-7(2)9-6-5-8(3)10(12)11(9)13-4/h5-7,12H,1-4H3
- InChI Key
- PVEFRHUZPGCJIK-UHFFFAOYSA-N
- Formula
- C11H16O2
- SMILES
- COc1c(C(C)C)ccc(C)c1O
- Molecular Weight1
- 180.25
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -340.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.95 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.833 | Crippen Calculated Property | |
| McVol | 153.830 | ml/mol | McGowan Calculated Property |
| I | [2410.00; 2410.00] |
|
|
| I | 2410.00 | NIST | |
| I | 2410.00 | NIST | |
| Tboil | 521.86 | K | Relay (1.0) Calculated Property |
| Tfus | 330.87 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, 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 | [381.74; 455.41] | J/mol×K | [590.32; 809.10] |
|
| Cp,gas | 381.74 | J/mol×K | 590.32 | Joback Calculated Property |
| Cp,gas | 395.81 | J/mol×K | 626.78 | Joback Calculated Property |
| Cp,gas | 409.10 | J/mol×K | 663.25 | Joback Calculated Property |
| Cp,gas | 421.65 | J/mol×K | 699.71 | Joback Calculated Property |
| Cp,gas | 433.52 | J/mol×K | 736.17 | Joback Calculated Property |
| Cp,gas | 444.75 | J/mol×K | 772.63 | Joback Calculated Property |
| Cp,gas | 455.41 | J/mol×K | 809.10 | Joback Calculated Property |
| η | [0.0000286; 0.0010379] | Pa×s | [384.14; 590.32] |
|
| η | 0.0010379 | Pa×s | 384.14 | Joback Calculated Property |
| η | 0.0004462 | Pa×s | 418.50 | Joback Calculated Property |
| η | 0.0002180 | Pa×s | 452.87 | Joback Calculated Property |
| η | 0.0001179 | Pa×s | 487.23 | Joback Calculated Property |
| η | 0.0000691 | Pa×s | 521.59 | Joback Calculated Property |
| η | 0.0000433 | Pa×s | 555.96 | Joback Calculated Property |
| η | 0.0000286 | Pa×s | 590.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 6-methyl-2-methoxy-3-(1-methylethyl).
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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