- InChI
- InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
- InChI Key
- BPRYUXCVCCNUFE-UHFFFAOYSA-N
- Formula
- C9H12O
- SMILES
- Cc1cc(C)c(O)c(C)c1
- Molecular Weight1
- 136.19
- CAS
- 527-60-6
- Other Names
-
- 1-Hydroxy-2,4,6-trimethylbenzene
- 2,4,6-TRIMETHYL PHENOL
- 2,4,6-Trimethylphenol
- 2,4,6-Trimetylofenol
- 2-Hydroxymesitylene
- Mesitol
- Mesityl alcohol
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- 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.
- 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° | -36.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-263.70; -176.90] | kJ/mol |
|
| ΔfH°gas | -263.70 | kJ/mol | NIST |
| ΔfH°gas | -176.90 | kJ/mol | NIST |
| ΔfusH° | 18.11 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [82.80; 95.02] | kJ/mol |
|
| ΔsubH° | 82.80 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 95.00 | kJ/mol | NIST |
| ΔsubH° | 95.02 | kJ/mol | NIST |
| ΔsubH° | 93.10 | kJ/mol | NIST |
| ΔvapH° | 52.24 | kJ/mol | Joback Calculated Property |
| IE | 8.00 | eV | NIST |
| log10WS | [-2.05; -2.05] |
|
|
| log10WS | -2.05 | Aq. Sol... | |
| log10WS | -2.05 | Estimat... | |
| logPoct/wat | 2.317 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 3754.57 | kPa | Joback Calculated Property |
| Inp | [202.50; 1229.00] |
|
|
| Inp | 1220.00 | NIST | |
| Inp | 1204.00 | NIST | |
| Inp | 1202.50 | NIST | |
| Inp | 1201.60 | NIST | |
| Inp | 1199.10 | NIST | |
| Inp | 1202.50 | NIST | |
| Inp | 1204.10 | NIST | |
| Inp | 1199.10 | NIST | |
| Inp | 1202.50 | NIST | |
| Inp | 1204.10 | NIST | |
| Inp | 1202.50 | NIST | |
| Inp | 1201.60 | NIST | |
| Inp | 1204.00 | NIST | |
| Inp | 1211.00 | NIST | |
| Inp | 1212.90 | NIST | |
| Inp | 1215.80 | NIST | |
| Inp | 1229.00 | NIST | |
| Inp | 1226.00 | NIST | |
| Inp | 1171.00 | NIST | |
| Inp | 1174.00 | NIST | |
| Inp | 1184.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1204.00 | NIST | |
| Inp | 1204.00 | NIST | |
| Inp | 1205.00 | NIST | |
| Inp | 1204.00 | NIST | |
| Inp | Outlier 203.83 | NIST | |
| Inp | Outlier 202.50 | NIST | |
| Inp | Outlier 203.59 | NIST | |
| Inp | 1204.00 | NIST | |
| Inp | 1202.50 | NIST | |
| Inp | 1199.10 | NIST | |
| Tboil | [493.20; 494.15] | K |
|
| Tboil | 493.20 | K | NIST |
| Tboil | 494.15 ± 3.00 | K | NIST |
| Tc | 747.15 | K | Joback Calculated Property |
| Tfus | [341.15; 346.15] | K |
|
| Tfus | 345.65 | K | Aq. Sol... |
| Tfus | 346.15 | K | Liquid ... |
| Tfus | 343.65 ± 2.00 | K | NIST |
| Tfus | 343.90 ± 2.00 | K | NIST |
| Tfus | 344.55 ± 2.00 | K | NIST |
| Tfus | 345.40 ± 3.00 | K | NIST |
| Tfus | 345.45 ± 1.50 | K | NIST |
| Tfus | 345.25 ± 2.00 | K | NIST |
| Tfus | Outlier 341.15 ± 4.00 | K | NIST |
| Tfus | 345.65 ± 2.00 | K | NIST |
| Tfus | 344.15 ± 2.00 | K | NIST |
| Tfus | 342.15 ± 2.00 | K | NIST |
| Vc | 0.398 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [266.77; 329.50] | J/mol×K | [522.58; 747.15] |
|
| Cp,gas | 266.77 | J/mol×K | 522.58 | Joback Calculated Property |
| Cp,gas | 278.94 | J/mol×K | 560.01 | Joback Calculated Property |
| Cp,gas | 290.34 | J/mol×K | 597.44 | Joback Calculated Property |
| Cp,gas | 301.03 | J/mol×K | 634.86 | Joback Calculated Property |
| Cp,gas | 311.07 | J/mol×K | 672.29 | Joback Calculated Property |
| Cp,gas | 320.54 | J/mol×K | 709.72 | Joback Calculated Property |
| Cp,gas | 329.50 | J/mol×K | 747.15 | Joback Calculated Property |
| η | [0.0000662; 0.0017439] | Pa×s | [354.37; 522.58] |
|
| η | 0.0017439 | Pa×s | 354.37 | Joback Calculated Property |
| η | 0.0008278 | Pa×s | 382.40 | Joback Calculated Property |
| η | 0.0004351 | Pa×s | 410.44 | Joback Calculated Property |
| η | 0.0002482 | Pa×s | 438.47 | Joback Calculated Property |
| η | 0.0001515 | Pa×s | 466.51 | Joback Calculated Property |
| η | 0.0000978 | Pa×s | 494.54 | Joback Calculated Property |
| η | 0.0000662 | Pa×s | 522.58 | Joback Calculated Property |
| ΔvapH | 53.20 | kJ/mol | 430.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.24; 202.66] | kPa | [345.15; 522.40] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54349e+01 | |||
| Coefficient B | -4.49407e+03 | |||
| Coefficient C | -7.84680e+01 | |||
| Temperature range, min. | 345.15 | |||
| Temperature range, max. | 522.40 | |||
| Pvap | 0.24 | kPa | 345.15 | Calculated Property |
| Pvap | 0.77 | kPa | 364.84 | Calculated Property |
| Pvap | 2.12 | kPa | 384.54 | Calculated Property |
| Pvap | 5.15 | kPa | 404.23 | Calculated Property |
| Pvap | 11.31 | kPa | 423.93 | Calculated Property |
| Pvap | 22.82 | kPa | 443.62 | Calculated Property |
| Pvap | 42.84 | kPa | 463.32 | Calculated Property |
| Pvap | 75.63 | kPa | 483.01 | Calculated Property |
| Pvap | 126.67 | kPa | 502.71 | Calculated Property |
| Pvap | 202.66 | kPa | 522.40 | Calculated Property |
| Pvap | [1.32; 103.94] | kPa | [367.15; 494.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 6.88733e+01 | |||
| Coefficient B | -8.88021e+03 | |||
| Coefficient C | -7.60503e+00 | |||
| Coefficient D | 3.74291e-06 | |||
| Temperature range, min. | 367.15 | |||
| Temperature range, max. | 494.15 | |||
| Pvap | 1.32 | kPa | 367.15 | Calculated Property |
| Pvap | 2.52 | kPa | 381.26 | Calculated Property |
| Pvap | 4.58 | kPa | 395.37 | Calculated Property |
| Pvap | 7.93 | kPa | 409.48 | Calculated Property |
| Pvap | 13.20 | kPa | 423.59 | Calculated Property |
| Pvap | 21.16 | kPa | 437.71 | Calculated Property |
| Pvap | 32.83 | kPa | 451.82 | Calculated Property |
| Pvap | 49.46 | kPa | 465.93 | Calculated Property |
| Pvap | 72.56 | kPa | 480.04 | Calculated Property |
| Pvap | 103.94 | kPa | 494.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,4,6-trimethyl-.
Mixtures
- Choline chloride + Phenol, 2,4,6-trimethyl-
- Carbon dioxide + Phenol, 2,4,6-trimethyl-
- p-Hydroxybiphenyl + Carbon dioxide + Phenol, 2,4,6-trimethyl-
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Liquid pharmaceuticals formulation by eutectic formation
- Thermochemistry of Li, Na, K, Rb and Cs alkylated phenoxides
- Solubilities of Substituted Phenols in Supercritical Carbon Dioxide
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.