- InChI
- InChI=1S/C10H14O/c1-6-5-7(2)9(4)10(11)8(6)3/h5,11H,1-4H3
- InChI Key
- KLAQSPUVCDBEGF-UHFFFAOYSA-N
- Formula
- C10H14O
- SMILES
- Cc1cc(C)c(C)c(O)c1C
- Molecular Weight1
- 150.22
- CAS
- 527-35-5
- Other Names
-
- 2,3,5,6-Tetramethylphenol
- Durenol
- Phenol, tetramethyl-
- 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).
- 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.
- 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° | -37.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -224.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.13 | kJ/mol | Joback Calculated Property |
| log10WS | -2.92 | Crippen Calculated Property | |
| logPoct/wat | 2.626 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 3291.59 | kPa | Joback Calculated Property |
| Inp | [231.30; 1361.00] |
|
|
| Inp | 1287.00 | NIST | |
| Inp | 1319.00 | NIST | |
| Inp | 1361.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 231.30 | NIST | |
| Inp | 232.59 | NIST | |
| Inp | 231.30 | NIST | |
| Inp | 1319.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Tboil | [520.70; 522.00] | K |
|
| Tboil | 520.70 ± 4.00 | K | NIST |
| Tboil | 520.70 ± 4.00 | K | NIST |
| Tboil | 522.00 ± 3.00 | K | NIST |
| Tc | 772.15 | K | Joback Calculated Property |
| Tfus | [389.00; 392.00] | K |
|
| Tfus | 390.00 ± 2.00 | K | NIST |
| Tfus | 390.00 ± 2.00 | K | NIST |
| Tfus | 392.00 ± 2.00 | K | NIST |
| Tfus | 389.00 ± 3.00 | K | NIST |
| Tfus | 392.00 ± 2.00 | K | NIST |
| Vc | 0.454 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [310.51; 377.60] | J/mol×K | [550.44; 772.15] |
|
| Cp,gas | 310.51 | J/mol×K | 550.44 | Joback Calculated Property |
| Cp,gas | 323.33 | J/mol×K | 587.39 | Joback Calculated Property |
| Cp,gas | 335.42 | J/mol×K | 624.34 | Joback Calculated Property |
| Cp,gas | 346.83 | J/mol×K | 661.30 | Joback Calculated Property |
| Cp,gas | 357.63 | J/mol×K | 698.25 | Joback Calculated Property |
| Cp,gas | 367.86 | J/mol×K | 735.20 | Joback Calculated Property |
| Cp,gas | 377.60 | J/mol×K | 772.15 | Joback Calculated Property |
| η | [0.0000501; 0.0010235] | Pa×s | [378.16; 550.44] |
|
| η | 0.0010235 | Pa×s | 378.16 | Joback Calculated Property |
| η | 0.0005185 | Pa×s | 406.87 | Joback Calculated Property |
| η | 0.0002873 | Pa×s | 435.59 | Joback Calculated Property |
| η | 0.0001712 | Pa×s | 464.30 | Joback Calculated Property |
| η | 0.0001084 | Pa×s | 493.01 | Joback Calculated Property |
| η | 0.0000722 | Pa×s | 521.73 | Joback Calculated Property |
| η | 0.0000501 | Pa×s | 550.44 | Joback Calculated Property |
| ΔvapH | 51.20 | kJ/mol | 451.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.95; 202.63] | kPa | [390.15; 550.28] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54956e+01 | |||
| Coefficient B | -4.72801e+03 | |||
| Coefficient C | -8.60300e+01 | |||
| Temperature range, min. | 390.15 | |||
| Temperature range, max. | 550.28 | |||
| Pvap | 0.95 | kPa | 390.15 | Calculated Property |
| Pvap | 2.24 | kPa | 407.94 | Calculated Property |
| Pvap | 4.84 | kPa | 425.73 | Calculated Property |
| Pvap | 9.68 | kPa | 443.53 | Calculated Property |
| Pvap | 18.12 | kPa | 461.32 | Calculated Property |
| Pvap | 32.06 | kPa | 479.11 | Calculated Property |
| Pvap | 53.97 | kPa | 496.90 | Calculated Property |
| Pvap | 87.00 | kPa | 514.70 | Calculated Property |
| Pvap | 135.03 | kPa | 532.49 | Calculated Property |
| Pvap | 202.63 | kPa | 550.28 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,3,5,6-tetramethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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