- 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
- ω : Acentric Factor.
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (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).
- 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 |
|---|---|---|---|
| ω | 0.6174 | Relay (1.0) Calculated Property | |
| ΔfG° | 39.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -323.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.00; 8.30] | eV |
|
| IE | 8.00 | eV | NIST |
| IE | 8.30 | eV | NIST |
| log10WS | -5.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.259 | Crippen Calculated Property | |
| McVol | 228.200 | ml/mol | McGowan Calculated Property |
| Pc | 1629.85 | kPa | Joback Calculated Property |
| Tboil | 552.56 | K | Relay (1.0) Calculated Property |
| Tc | 788.86 | K | Relay (1.0) Calculated Property |
| Tfus | 334.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.835 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [626.44; 721.98] | J/mol×K | [682.53; 889.78] |
|
| Cp,gas | 626.44 | J/mol×K | 682.53 | Joback Calculated Property |
| Cp,gas | 644.87 | J/mol×K | 717.07 | Joback Calculated Property |
| Cp,gas | 662.26 | J/mol×K | 751.61 | Joback Calculated Property |
| Cp,gas | 678.64 | J/mol×K | 786.16 | Joback Calculated Property |
| Cp,gas | 694.03 | J/mol×K | 820.70 | Joback Calculated Property |
| Cp,gas | 708.46 | J/mol×K | 855.24 | Joback Calculated Property |
| Cp,gas | 721.98 | J/mol×K | 889.78 | Joback Calculated Property |
| η | [0.0001092; 0.0021690] | Pa×s | [350.26; 682.53] |
|
| η | 0.0021690 | Pa×s | 350.26 | Joback Calculated Property |
| η | 0.0009381 | Pa×s | 405.64 | Joback Calculated Property |
| η | 0.0004962 | Pa×s | 461.02 | Joback Calculated Property |
| η | 0.0003009 | Pa×s | 516.39 | Joback Calculated Property |
| η | 0.0002010 | Pa×s | 571.77 | Joback Calculated Property |
| η | 0.0001442 | Pa×s | 627.15 | Joback Calculated Property |
| η | 0.0001092 | Pa×s | 682.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Tri-isopropylacetophenone.
Sources
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