- InChI
- InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
- InChI Key
- ICKWICRCANNIBI-UHFFFAOYSA-N
- Formula
- C14H22O
- SMILES
- CC(C)(C)c1ccc(O)c(C(C)(C)C)c1
- Molecular Weight1
- 206.32
- CAS
- 96-76-4
- Other Names
-
- Phenol, 2,4-bis(1,1-dimethylethyl)-
- Phenol, 2,4-di-tert-butyl-
- 2,4-di-t-Butylphenol
- 1-Hydroxy-2,4-di-tert-butylbenzene
- Antioxidant No. 33
- Prodox 146
- Prodox 146A-85X
- 2,4-Bis(1,1-dimethylethyl)phenol
- 2,4-Bis(tert-butyl)phenol
- NSC 174502
- 2,4-tert-butylphenol
- 2,4-bis(1,1'-dimethylethyl)phenol
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -8255.00 | kJ/mol | NIST |
| ΔfG° | 20.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -290.00 | kJ/mol | NIST |
| ΔfH°solid | -400.00 | kJ/mol | NIST |
| ΔfusH° | 16.62 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [86.70; 110.00] | kJ/mol |
|
| ΔsubH° | 92.90 ± 2.80 | kJ/mol | NIST |
| ΔsubH° | 86.70 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 107.10 | kJ/mol | NIST |
| ΔsubH° | 110.00 | kJ/mol | NIST |
| ΔvapH° | 72.40 ± 0.50 | kJ/mol | NIST |
| log10WS | -3.65 | Crippen Calculated Property | |
| logPoct/wat | 3.987 | Crippen Calculated Property | |
| McVol | 190.230 | ml/mol | McGowan Calculated Property |
| Pc | 2358.78 | kPa | Joback Calculated Property |
| Inp | [1494.00; 1553.00] |
|
|
| Inp | 1519.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Inp | 1512.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Inp | 1518.00 | NIST | |
| Inp | 1521.00 | NIST | |
| Inp | 1525.00 | NIST | |
| Inp | 1519.00 | NIST | |
| Inp | 1518.00 | NIST | |
| Inp | 1521.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1511.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Inp | Outlier 1553.00 | NIST | |
| Inp | 1502.00 | NIST | |
| Inp | 1519.00 | NIST | |
| Inp | 1509.00 | NIST | |
| Inp | 1519.00 | NIST | |
| Inp | 1519.00 | NIST | |
| Inp | 1502.00 | NIST | |
| Inp | 1511.00 | NIST | |
| Inp | 1509.00 | NIST | |
| I | [2270.00; 2330.00] |
|
|
| I | 2280.00 | NIST | |
| I | 2327.00 | NIST | |
| I | 2327.00 | NIST | |
| I | 2316.00 | NIST | |
| I | 2316.00 | NIST | |
| I | 2317.00 | NIST | |
| I | 2321.00 | NIST | |
| I | 2294.00 | NIST | |
| I | Outlier 2270.00 | NIST | |
| I | 2327.00 | NIST | |
| I | 2318.00 | NIST | |
| I | 2312.00 | NIST | |
| I | 2330.00 | NIST | |
| I | 2330.00 | NIST | |
| I | 2330.00 | NIST | |
| I | 2277.00 | NIST | |
| I | 2315.00 | NIST | |
| I | 2321.00 | NIST | |
| I | 2280.00 | NIST | |
| I | 2317.00 | NIST | |
| Tboil | [536.70; 538.20] | K |
|
| Tboil | 538.20 | K | NIST |
| Tboil | 536.70 | K | NIST |
| Tc | 855.78 | K | Joback Calculated Property |
| Tfus | 403.04 | K | Joback Calculated Property |
| Vc | 0.655 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [511.15; 601.25] | J/mol×K | [625.54; 855.78] |
|
| Cp,gas | 511.15 | J/mol×K | 625.54 | Joback Calculated Property |
| Cp,gas | 528.92 | J/mol×K | 663.91 | Joback Calculated Property |
| Cp,gas | 545.39 | J/mol×K | 702.29 | Joback Calculated Property |
| Cp,gas | 560.71 | J/mol×K | 740.66 | Joback Calculated Property |
| Cp,gas | 575.03 | J/mol×K | 779.03 | Joback Calculated Property |
| Cp,gas | 588.49 | J/mol×K | 817.41 | Joback Calculated Property |
| Cp,gas | 601.25 | J/mol×K | 855.78 | Joback Calculated Property |
| η | [0.0000185; 0.0010791] | Pa×s | [403.04; 625.54] |
|
| η | 0.0010791 | Pa×s | 403.04 | Joback Calculated Property |
| η | 0.0004121 | Pa×s | 440.12 | Joback Calculated Property |
| η | 0.0001828 | Pa×s | 477.21 | Joback Calculated Property |
| η | 0.0000911 | Pa×s | 514.29 | Joback Calculated Property |
| η | 0.0000499 | Pa×s | 551.37 | Joback Calculated Property |
| η | 0.0000295 | Pa×s | 588.46 | Joback Calculated Property |
| η | 0.0000185 | Pa×s | 625.54 | Joback Calculated Property |
| ΔsubH | 86.10 ± 0.30 | kJ/mol | 307.50 | NIST |
| ΔvapH | [60.10; 69.20] | kJ/mol | [350.50; 470.00] |
|
| ΔvapH | 69.20 ± 0.50 | kJ/mol | 350.50 | NIST |
| ΔvapH | 60.10 | kJ/mol | 470.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 419.20 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 2,4-Di-tert-butylphenol.
Sources
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