- InChI
- InChI=1S/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3
- InChI Key
- XOUQAVYLRNOXDO-UHFFFAOYSA-N
- Formula
- C11H16O
- SMILES
- Cc1ccc(C(C)(C)C)c(O)c1
- Molecular Weight1
- 164.24
- CAS
- 88-60-8
- Other Names
-
- 2-t-Butyl-5-methylphenol
- 2-tert-Butyl-5-Methylphenol
- 3-Methyl-6-tert-butylphenol
- 5-Methyl-2-(1,1-dimethylethyl)-phenol
- 6-tert-Butyl-3-Methylphenol
- 6-tert-Butyl-m-Cresol
- m-Cresol, 6-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).
- Tboilr : Boiling point at reduced pressure (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 |
| ΔsubH° | 79.70 ± 1.30 | kJ/mol | NIST |
| ΔvapH° | 67.20 ± 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 | [1340.40; 1368.50] |
|
|
| Inp | 1340.40 | NIST | |
| Inp | 1365.40 | NIST | |
| Inp | 1366.40 | NIST | |
| Inp | 1368.50 | NIST | |
| I | [2228.00; 2260.00] |
|
|
| I | 2229.00 | NIST | |
| I | 2260.00 | NIST | |
| I | 2228.00 | NIST | |
| I | 2229.00 | NIST | |
| Tboil | 560.13 | K | Joback Calculated Property |
| Tc | 789.71 | K | Joback Calculated Property |
| Tfus | 294.20 ± 0.50 | 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 | 80.40 ± 1.30 | kJ/mol | 285.50 | NIST |
| ΔvapH | [53.00; 65.90] | kJ/mol | [319.50; 450.50] |
|
| ΔvapH | 65.90 ± 0.30 | kJ/mol | 319.50 | NIST |
| ΔvapH | 59.80 | kJ/mol | 434.00 | NIST |
| ΔvapH | 53.00 | kJ/mol | 450.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [390.70; 400.20] | K | [1.50; 1.60] |
|
| Tboilr | 400.20 | K | 1.50 | NIST |
| Tboilr | 390.70 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [388.00; 555.21] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.44773e+01 | |||
| Coefficient B | -4.32884e+03 | |||
| Coefficient C | -8.29300e+01 | |||
| Temperature range, min. | 388.00 | |||
| Temperature range, max. | 555.21 | |||
| Pvap | 1.33 | kPa | 388.00 | Calculated Property |
| Pvap | 3.01 | kPa | 406.58 | Calculated Property |
| Pvap | 6.22 | kPa | 425.16 | Calculated Property |
| Pvap | 11.94 | kPa | 443.74 | Calculated Property |
| Pvap | 21.48 | kPa | 462.32 | Calculated Property |
| Pvap | 36.59 | kPa | 480.89 | Calculated Property |
| Pvap | 59.44 | kPa | 499.47 | Calculated Property |
| Pvap | 92.64 | kPa | 518.05 | Calculated Property |
| Pvap | 139.22 | kPa | 536.63 | Calculated Property |
| Pvap | 202.64 | kPa | 555.21 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-(1,1-dimethylethyl)-5-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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