- InChI
- InChI=1S/C17H26O/c1-10(2)14-8-15(11(3)4)17(13(7)18)16(9-14)12(5)6/h8-12H,1-7H3
- InChI Key
- SGRDDUKVLKWIBZ-UHFFFAOYSA-N
- Formula
- C17H26O
- SMILES
-
CC(=O)c1c(C(C)C)cc(C(C)C)cc1C(
C)C - Molecular Weight1
- 246.39
- CAS
- 2234-14-2
- Other Names
-
- 2',4',6'-Triisopropylacetophenone
- Ethanone, 1-[2,4,6-tris(1-methylethyl)phenyl]-
- Acetophenone, 2',4',6'-triisopropyl-
- Acetophenone: 2',4',6'-triisopropyl
- 1-[2,4,6-tris(1-methylethyl)phenyl]ethan-1-one
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -323.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.00; 8.30] | eV |
|
| IE | 8.00 | eV | NIST |
| IE | 8.30 | eV | NIST |
| logPoct/wat | 5.259 | Crippen Calculated Property | |
| McVol | 228.200 | ml/mol | McGowan Calculated Property |
| Tboil | 552.56 | K | Relay (1.0) Calculated Property |
| Tfus | 326.45 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [626.55; 722.08] | J/mol×K | [682.73; 890.04] |
|
| Cp,gas | 626.55 | J/mol×K | 682.73 | Joback Calculated Property |
| Cp,gas | 644.98 | J/mol×K | 717.28 | Joback Calculated Property |
| Cp,gas | 662.37 | J/mol×K | 751.83 | Joback Calculated Property |
| Cp,gas | 678.74 | J/mol×K | 786.39 | Joback Calculated Property |
| Cp,gas | 694.13 | J/mol×K | 820.94 | Joback Calculated Property |
| Cp,gas | 708.57 | J/mol×K | 855.49 | Joback Calculated Property |
| Cp,gas | 722.08 | J/mol×K | 890.04 | Joback Calculated Property |
| η | [0.0001091; 0.0021690] | Pa×s | [350.26; 682.73] |
|
| η | 0.0021690 | Pa×s | 350.26 | Joback Calculated Property |
| η | 0.0009377 | Pa×s | 405.67 | Joback Calculated Property |
| η | 0.0004959 | Pa×s | 461.08 | Joback Calculated Property |
| η | 0.0003007 | Pa×s | 516.50 | Joback Calculated Property |
| η | 0.0002009 | Pa×s | 571.91 | Joback Calculated Property |
| η | 0.0001441 | Pa×s | 627.32 | Joback Calculated Property |
| η | 0.0001091 | Pa×s | 682.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Tri-isopropylacetophenone.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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