- InChI
- InChI=1S/C15H24O/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11,16H,1-6H3
- InChI Key
- HVFKKINZIWVNQG-UHFFFAOYSA-N
- Formula
- C15H24O
- SMILES
- CC(C)c1cc(C(C)C)c(O)c(C(C)C)c1
- Molecular Weight1
- 220.35
- CAS
- 2934-07-8
- Other Names
-
- 2,4,6-triisopropylphenol
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -8942.50 | kJ/mol | NIST |
| ΔfH°gas | [-333.00; -290.90] | kJ/mol |
|
| ΔfH°gas | -333.00 ± 3.10 | kJ/mol | NIST |
| ΔfH°gas | -290.90 | kJ/mol | NIST |
| ΔfH°liquid | -390.00 | kJ/mol | NIST |
| ΔfusH° | 23.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [99.10; 99.20] | kJ/mol |
|
| ΔvapH° | 99.20 | kJ/mol | NIST |
| ΔvapH° | 99.10 | kJ/mol | NIST |
| IE | 7.75 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.762 | Crippen Calculated Property | |
| McVol | 204.320 | ml/mol | McGowan Calculated Property |
| Inp | 1516.00 | NIST | |
| Tboil | 529.88 | K | Relay (1.0) Calculated Property |
| Tfus | 350.85 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.48; 692.62] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.00200e+01 | |||
| Coefficient B | 1.40332e+00 | |||
| Coefficient C | -9.55280e-04 | |||
| Coefficient D | 2.74600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 287.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 359.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 421.94 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 477.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 525.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 567.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 604.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 636.89 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 666.05 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 692.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018796; 0.0000241] | Pa×s | [376.99; 611.76] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.76298e+01 | |||
| Coefficient B | 4.27998e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 376.99 | |||
| Temperature range, max. | 611.76 | |||
| η | 0.0018796 | Pa×s | 376.99 | Calculated Property |
| η | 0.0009015 | Pa×s | 403.08 | Calculated Property |
| η | 0.0004728 | Pa×s | 429.16 | Calculated Property |
| η | 0.0002670 | Pa×s | 455.25 | Calculated Property |
| η | 0.0001604 | Pa×s | 481.33 | Calculated Property |
| η | 0.0001016 | Pa×s | 507.42 | Calculated Property |
| η | 0.0000672 | Pa×s | 533.50 | Calculated Property |
| η | 0.0000463 | Pa×s | 559.59 | Calculated Property |
| η | 0.0000329 | Pa×s | 585.68 | Calculated Property |
| η | 0.0000241 | Pa×s | 611.76 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,4,6-tris(1-methylethyl)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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