- InChI
- InChI=1S/C14H22O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9,15H,1-6H3
- InChI Key
- ZDWSNKPLZUXBPE-UHFFFAOYSA-N
- Formula
- C14H22O
- SMILES
- CC(C)(C)c1cc(O)cc(C(C)(C)C)c1
- Molecular Weight1
- 206.32
- CAS
- 1138-52-9
- Other Names
-
- 3,5-Di-t-butylphenol
- 3,5-Di-tert-butylphenol
- 3,5-bis(1,1-Dimethylethyl)phenol
- Phenol, 3,5-bis(t-butyl)
- Phenol, 3,5-di-tert-butyl-
- 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).
- 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).
- I : 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 | -8242.00 | kJ/mol | NIST |
| ΔfG° | 20.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -300.00 | kJ/mol | NIST |
| ΔfH°solid | -410.00 | kJ/mol | NIST |
| ΔfusH° | 16.62 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [97.70; 110.00] | kJ/mol |
|
| ΔsubH° | 97.70 ± 3.70 | kJ/mol | NIST |
| ΔsubH° | 110.00 | kJ/mol | NIST |
| ΔsubH° | 110.00 | kJ/mol | NIST |
| ΔvapH° | 60.12 | kJ/mol | Joback Calculated Property |
| IE | 7.90 ± 0.02 | eV | 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 |
| I | [2310.00; 2328.00] |
|
|
| I | 2310.00 | NIST | |
| I | 2328.00 | 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 |
| ΔsubH | 68.20 | kJ/mol | 313.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [404.00; 593.33] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.36835e+01 | |||
| Coefficient B | -4.22655e+03 | |||
| Coefficient C | -8.84900e+01 | |||
| Temperature range, min. | 404.00 | |||
| Temperature range, max. | 593.33 | |||
| Pvap | 1.33 | kPa | 404.00 | Calculated Property |
| Pvap | 3.08 | kPa | 425.04 | Calculated Property |
| Pvap | 6.45 | kPa | 446.07 | Calculated Property |
| Pvap | 12.43 | kPa | 467.11 | Calculated Property |
| Pvap | 22.38 | kPa | 488.15 | Calculated Property |
| Pvap | 37.97 | kPa | 509.18 | Calculated Property |
| Pvap | 61.27 | kPa | 530.22 | Calculated Property |
| Pvap | 94.66 | kPa | 551.26 | Calculated Property |
| Pvap | 140.81 | kPa | 572.29 | Calculated Property |
| Pvap | 202.65 | kPa | 593.33 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 3,5-bis(1,1-dimethylethyl)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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