- InChI
- InChI=1S/C14H22O/c1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6/h7-9,15H,1-6H3
- InChI Key
- KDBZVULQVCUNNA-UHFFFAOYSA-N
- Formula
- C14H22O
- SMILES
- CC(C)(C)c1ccc(C(C)(C)C)c(O)c1
- Molecular Weight1
- 206.32
- CAS
- 5875-45-6
- Other Names
-
- Phenol, 2,5-di-tert-butyl-
- 2,5-Di-tert-butylphenol
- 2,5-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).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -8276.00 | kJ/mol | NIST |
| ΔfG° | 20.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -260.00 | kJ/mol | NIST |
| ΔfH°solid | -380.00 | kJ/mol | NIST |
| ΔfusH° | 16.62 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [116.70; 120.00] | kJ/mol |
|
| ΔsubH° | 116.70 | kJ/mol | NIST |
| ΔsubH° | 120.00 | kJ/mol | NIST |
| ΔvapH° | 60.12 | kJ/mol | Joback Calculated Property |
| 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 | [1514.00; 1517.00] |
|
|
| Inp | 1517.00 | NIST | |
| Inp | 1514.00 | NIST | |
| Tboil | 625.54 | K | Joback Calculated Property |
| 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 |
Similar Compounds
Find more compounds similar to Phenol, 2,5-bis(1,1-dimethylethyl)-.
Sources
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