- InChI
- InChI=1S/C16H26O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h9-10,17H,8H2,1-7H3
- InChI Key
- BVUXDWXKPROUDO-UHFFFAOYSA-N
- Formula
- C16H26O
- SMILES
-
CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C
)c1 - Molecular Weight1
- 234.38
- CAS
- 4130-42-1
- Other Names
-
- 1-Hydroxy-4-ethyl-2,6-di-tert-butylbenzene
- 2,6-Bis(1,1-dimethylethyl)-4-ethylphenol
- 2,6-Di-tert-butyl-4-ethylphenol
- 2,6-di-t-Butyl-4-ethylphenol
- 4-Ethyl-2,6-di-tert-butylphenol
- Ionol 2
- NSC 14453
- Nocrac M 17
- Phenol, 2,6-bis-(1.1-dimethylethyl)-4-ethyl
- Phenol, 2,6-di-tert-butyl-4-ethyl-
- Sandant 425
- Yoshinox 250
- 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).
- 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° | 28.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -354.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.23 | kJ/mol | Joback Calculated Property |
| log10WS | -4.45 | Crippen Calculated Property | |
| logPoct/wat | 4.550 | Crippen Calculated Property | |
| McVol | 218.410 | ml/mol | McGowan Calculated Property |
| Pc | 1947.51 | kPa | Joback Calculated Property |
| Inp | [1747.00; 1760.00] |
|
|
| Inp | 1760.00 | NIST | |
| Inp | 1747.00 | NIST | |
| Tboil | 676.28 | K | Joback Calculated Property |
| Tc | 898.90 | K | Joback Calculated Property |
| Tfus | 438.10 | K | Joback Calculated Property |
| Vc | 0.767 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [615.67; 710.19] | J/mol×K | [676.28; 898.90] |
|
| Cp,gas | 615.67 | J/mol×K | 676.28 | Joback Calculated Property |
| Cp,gas | 633.87 | J/mol×K | 713.38 | Joback Calculated Property |
| Cp,gas | 650.91 | J/mol×K | 750.49 | Joback Calculated Property |
| Cp,gas | 666.94 | J/mol×K | 787.59 | Joback Calculated Property |
| Cp,gas | 682.07 | J/mol×K | 824.69 | Joback Calculated Property |
| Cp,gas | 696.44 | J/mol×K | 861.80 | Joback Calculated Property |
| Cp,gas | 710.19 | J/mol×K | 898.90 | Joback Calculated Property |
| η | [0.0000110; 0.0004957] | Pa×s | [438.10; 676.28] |
|
| η | 0.0004957 | Pa×s | 438.10 | Joback Calculated Property |
| η | 0.0002017 | Pa×s | 477.80 | Joback Calculated Property |
| η | 0.0000942 | Pa×s | 517.49 | Joback Calculated Property |
| η | 0.0000490 | Pa×s | 557.19 | Joback Calculated Property |
| η | 0.0000278 | Pa×s | 596.89 | Joback Calculated Property |
| η | 0.0000170 | Pa×s | 636.58 | Joback Calculated Property |
| η | 0.0000110 | Pa×s | 676.28 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [416.12; 614.81] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.34889e+01 | |||
| Coefficient B | -4.26955e+03 | |||
| Coefficient C | -9.27020e+01 | |||
| Temperature range, min. | 416.12 | |||
| Temperature range, max. | 614.81 | |||
| Pvap | 1.33 | kPa | 416.12 | Calculated Property |
| Pvap | 3.10 | kPa | 438.20 | Calculated Property |
| Pvap | 6.51 | kPa | 460.27 | Calculated Property |
| Pvap | 12.57 | kPa | 482.35 | Calculated Property |
| Pvap | 22.62 | kPa | 504.43 | Calculated Property |
| Pvap | 38.35 | kPa | 526.50 | Calculated Property |
| Pvap | 61.77 | kPa | 548.58 | Calculated Property |
| Pvap | 95.20 | kPa | 570.66 | Calculated Property |
| Pvap | 141.23 | kPa | 592.73 | Calculated Property |
| Pvap | 202.64 | kPa | 614.81 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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