- InChI
- InChI=1S/C11H16O/c1-8-6-5-7-9(10(8)12)11(2,3)4/h5-7,12H,1-4H3
- InChI Key
- BKZXZGWHTRCFPX-UHFFFAOYSA-N
- Formula
- C11H16O
- SMILES
- Cc1cccc(C(C)(C)C)c1O
- Molecular Weight1
- 164.24
- CAS
- 2219-82-1
- Other Names
-
- 2-Methyl-6-tert-butylphenol
- 2-tert-Butyl-6-Methylphenol
- 6-tert-Butyl-2-Methylphenol
- 6-tert-Butyl-o-Cresol
- Phenol, 2-tert-butyl-6-methyl-
- o-Cresol, 6-tert-butyl-
- o-tert-Butyl-o-cresol
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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° | -7.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -231.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.80 ± 0.50 | kJ/mol | NIST |
| log10WS | -2.81 | Crippen Calculated Property | |
| logPoct/wat | 2.998 | Crippen Calculated Property | |
| McVol | 147.960 | ml/mol | McGowan Calculated Property |
| Pc | 3121.00 | kPa | Joback Calculated Property |
| Inp | [1277.70; 1313.50] |
|
|
| Inp | Outlier 1277.70 | NIST | |
| Inp | 1313.50 | NIST | |
| Inp | 1305.30 | NIST | |
| Inp | 1308.00 | NIST | |
| Inp | 1311.70 | NIST | |
| Inp | 1313.50 | NIST | |
| I | 1910.00 | NIST | |
| Tboil | 503.20 | K | NIST |
| Tc | 789.71 | K | Joback Calculated Property |
| Tfus | 366.81 | K | Joback Calculated Property |
| Vc | 0.498 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [360.74; 437.54] | J/mol×K | [560.13; 789.71] |
|
| Cp,gas | 360.74 | J/mol×K | 560.13 | Joback Calculated Property |
| Cp,gas | 375.98 | J/mol×K | 598.39 | Joback Calculated Property |
| Cp,gas | 390.09 | J/mol×K | 636.66 | Joback Calculated Property |
| Cp,gas | 403.20 | J/mol×K | 674.92 | Joback Calculated Property |
| Cp,gas | 415.40 | J/mol×K | 713.18 | Joback Calculated Property |
| Cp,gas | 426.81 | J/mol×K | 751.44 | Joback Calculated Property |
| Cp,gas | 437.54 | J/mol×K | 789.71 | Joback Calculated Property |
| η | [0.0000425; 0.0019771] | Pa×s | [366.81; 560.13] |
|
| η | 0.0019771 | Pa×s | 366.81 | Joback Calculated Property |
| η | 0.0008050 | Pa×s | 399.03 | Joback Calculated Property |
| η | 0.0003749 | Pa×s | 431.25 | Joback Calculated Property |
| η | 0.0001942 | Pa×s | 463.47 | Joback Calculated Property |
| η | 0.0001095 | Pa×s | 495.69 | Joback Calculated Property |
| η | 0.0000663 | Pa×s | 527.91 | Joback Calculated Property |
| η | 0.0000425 | Pa×s | 560.13 | Joback Calculated Property |
| ΔfusH | 17.32 | kJ/mol | 302.50 | NIST |
| ΔvapH | [55.20; 62.20] | kJ/mol | [325.50; 440.00] |
|
| ΔvapH | 62.20 ± 0.50 | kJ/mol | 325.50 | NIST |
| ΔvapH | 55.20 | kJ/mol | 440.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [382.52; 557.27] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39789e+01 | |||
| Coefficient B | -4.12786e+03 | |||
| Coefficient C | -8.10260e+01 | |||
| Temperature range, min. | 382.52 | |||
| Temperature range, max. | 557.27 | |||
| Pvap | 1.33 | kPa | 382.52 | Calculated Property |
| Pvap | 3.05 | kPa | 401.94 | Calculated Property |
| Pvap | 6.36 | kPa | 421.35 | Calculated Property |
| Pvap | 12.24 | kPa | 440.77 | Calculated Property |
| Pvap | 22.02 | kPa | 460.19 | Calculated Property |
| Pvap | 37.43 | kPa | 479.60 | Calculated Property |
| Pvap | 60.55 | kPa | 499.02 | Calculated Property |
| Pvap | 93.87 | kPa | 518.44 | Calculated Property |
| Pvap | 140.19 | kPa | 537.85 | Calculated Property |
| Pvap | 202.63 | kPa | 557.27 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-(1,1-dimethylethyl)-6-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
property mean.