- InChI
- InChI=1S/C12H18O/c1-9-7-6-8-10(11(9)13-5)12(2,3)4/h6-8H,1-5H3
- InChI Key
- XLPWABAEWSNQJE-UHFFFAOYSA-N
- Formula
- C12H18O
- SMILES
- COc1c(C)cccc1C(C)(C)C
- Molecular Weight1
- 178.27
- CAS
- 60772-80-7
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 41.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -218.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.02 | kJ/mol | Joback Calculated Property |
| log10WS | -3.38 | Crippen Calculated Property | |
| logPoct/wat | 3.301 | Crippen Calculated Property | |
| McVol | 162.050 | ml/mol | McGowan Calculated Property |
| Pc | 2340.56 | kPa | Joback Calculated Property |
| Tboil | 529.79 | K | Joback Calculated Property |
| Tc | 742.25 | K | Joback Calculated Property |
| Tfus | 301.11 | K | Joback Calculated Property |
| Vc | 0.607 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [375.81; 463.85] | J/mol×K | [529.79; 742.25] | 
|
| Cp,gas | 375.81 | J/mol×K | 529.79 | Joback Calculated Property |
| Cp,gas | 392.73 | J/mol×K | 565.20 | Joback Calculated Property |
| Cp,gas | 408.71 | J/mol×K | 600.61 | Joback Calculated Property |
| Cp,gas | 423.77 | J/mol×K | 636.02 | Joback Calculated Property |
| Cp,gas | 437.96 | J/mol×K | 671.43 | Joback Calculated Property |
| Cp,gas | 451.31 | J/mol×K | 706.84 | Joback Calculated Property |
| Cp,gas | 463.85 | J/mol×K | 742.25 | Joback Calculated Property |
| η | [0.0001523; 0.0018283] | Pa×s | [301.11; 529.79] |
|
| η | 0.0018283 | Pa×s | 301.11 | Joback Calculated Property |
| η | 0.0009574 | Pa×s | 339.22 | Joback Calculated Property |
| η | 0.0005713 | Pa×s | 377.34 | Joback Calculated Property |
| η | 0.0003748 | Pa×s | 415.45 | Joback Calculated Property |
| η | 0.0002639 | Pa×s | 453.56 | Joback Calculated Property |
| η | 0.0001962 | Pa×s | 491.68 | Joback Calculated Property |
| η | 0.0001523 | Pa×s | 529.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-6-t-butylanisole.
Sources
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