- InChI
- InChI=1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3
- InChI Key
- IKEHOXWJQXIQAG-UHFFFAOYSA-N
- Formula
- C11H16O
- SMILES
- Cc1ccc(O)c(C(C)(C)C)c1
- Molecular Weight1
- 164.24
- CAS
- 2409-55-4
- Other Names
-
- 1-Hydroxy-2-tert-butyl-4-methylbenzene
- 2-(1,1'-dimethylethyl)-4-methylphenol
- 2-(1,1-Dimethylethyl)-4-methyl-phenol
- 2-Terc.butyl-p-kresol
- 2-t-Butyl-4-methylphenol
- 2-t-Butyl-p-cresol
- 2-tert-Butyl-4-Methylphenol
- 2-tert-Butyl-4-cresol
- 2-tert-Butyl-4-methyl-1-phenol
- 2-tert-Butyl-p-Cresol
- 4-Methyl-2-(1,1-dimethylethyl)phenol
- 4-Methyl-2-tert-butylphenol
- 4-Methyl-6-t-butylphenol
- NSC 60301
- o-tert-Butyl-p-cresol
- p-Cresol, 2-tert-butyl-
- 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation 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 | -207.00 ± 3.20 | kJ/mol | NIST |
| ΔfusH° | 16.27 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 82.90 ± 0.50 | kJ/mol | NIST |
| ΔvapH° | 65.70 ± 0.30 | 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 | [1345.00; 1387.00] |
|
|
| Inp | 1345.00 | NIST | |
| Inp | Outlier 1387.00 | NIST | |
| Inp | 1352.20 | NIST | |
| Inp | 1353.10 | NIST | |
| Inp | 1355.00 | NIST | |
| Inp | 1352.20 | NIST | |
| I | [2235.00; 2235.00] |
|
|
| I | 2235.00 | NIST | |
| I | 2235.00 | NIST | |
| Tboil | 510.20 | K | NIST |
| Tc | 789.71 | K | Joback Calculated Property |
| Tfus | [325.16; 325.45] | K |
|
| Tfus | 325.16 ± 0.30 | K | NIST |
| Tfus | 325.45 ± 0.20 | K | NIST |
| 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 |
| ΔsubH | [77.40; 82.60] | kJ/mol | [284.00; 303.00] |
|
| ΔsubH | 77.40 | kJ/mol | 284.00 | NIST |
| ΔsubH | 82.60 ± 0.50 | kJ/mol | 303.00 | NIST |
| ΔvapH | [48.50; 63.00] | kJ/mol | [342.50; 451.00] |
|
| ΔvapH | 63.00 ± 0.30 | kJ/mol | 342.50 | NIST |
| ΔvapH | 57.70 | kJ/mol | 425.00 | NIST |
| ΔvapH | 55.70 | kJ/mol | 425.00 | NIST |
| ΔvapH | 52.60 | kJ/mol | 425.00 | NIST |
| ΔvapH | 48.50 | kJ/mol | 425.00 | NIST |
| ΔvapH | 58.90 | kJ/mol | 451.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [388.12; 555.17] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.44886e+01 | |||
| Coefficient B | -4.33342e+03 | |||
| Coefficient C | -8.29720e+01 | |||
| Temperature range, min. | 388.12 | |||
| Temperature range, max. | 555.17 | |||
| Pvap | 1.33 | kPa | 388.12 | Calculated Property |
| Pvap | 3.01 | kPa | 406.68 | Calculated Property |
| Pvap | 6.22 | kPa | 425.24 | Calculated Property |
| Pvap | 11.93 | kPa | 443.80 | Calculated Property |
| Pvap | 21.47 | kPa | 462.36 | Calculated Property |
| Pvap | 36.58 | kPa | 480.93 | Calculated Property |
| Pvap | 59.42 | kPa | 499.49 | Calculated Property |
| Pvap | 92.62 | kPa | 518.05 | Calculated Property |
| Pvap | 139.21 | kPa | 536.61 | Calculated Property |
| Pvap | 202.65 | kPa | 555.17 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-(1,1-dimethylethyl)-4-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.