- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- 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°liquid | -8942.50 | kJ/mol | NIST |
| ΔfG° | 6.63 | kJ/mol | Joback Calculated Property |
| 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 |
| log10WS | -4.57 | Crippen Calculated Property | |
| logPoct/wat | 4.762 | Crippen Calculated Property | |
| McVol | 204.320 | ml/mol | McGowan Calculated Property |
| Pc | 2096.50 | kPa | Joback Calculated Property |
| Inp | 1516.00 | NIST | |
| Tboil | 658.54 | K | Joback Calculated Property |
| Tc | 873.68 | K | Joback Calculated Property |
| Tfus | 376.99 | K | Joback Calculated Property |
| Vc | 0.716 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [558.27; 649.98] | J/mol×K | [658.54; 873.68] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 560 580 600 620 640 700 750 800 850 | ||||
| Cp,gas | 558.27 | J/mol×K | 658.54 | Joback Calculated Property |
| Cp,gas | 575.76 | J/mol×K | 694.40 | Joback Calculated Property |
| Cp,gas | 592.27 | J/mol×K | 730.25 | Joback Calculated Property |
| Cp,gas | 607.87 | J/mol×K | 766.11 | Joback Calculated Property |
| Cp,gas | 622.64 | J/mol×K | 801.97 | Joback Calculated Property |
| Cp,gas | 636.65 | J/mol×K | 837.82 | Joback Calculated Property |
| Cp,gas | 649.98 | J/mol×K | 873.68 | Joback Calculated Property |
| η | [0.0000147; 0.0018796] | Pa×s | [376.99; 658.54] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 2.00e-3 400 500 600 | ||||
| η | 0.0018796 | Pa×s | 376.99 | Joback Calculated Property |
| η | 0.0005349 | Pa×s | 423.92 | Joback Calculated Property |
| η | 0.0001956 | Pa×s | 470.84 | Joback Calculated Property |
| η | 0.0000858 | Pa×s | 517.76 | Joback Calculated Property |
| η | 0.0000432 | Pa×s | 564.69 | Joback Calculated Property |
| η | 0.0000241 | Pa×s | 611.62 | Joback Calculated Property |
| η | 0.0000147 | Pa×s | 658.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,4,6-tris(1-methylethyl)-.
Sources
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