- InChI
- InChI=1S/C14H20O/c1-9-7-12(14(4,5)6)8-10(2)13(9)11(3)15/h7-8H,1-6H3
- InChI Key
- JNHLHPMTMTYLCP-UHFFFAOYSA-N
- Formula
- C14H20O
- SMILES
- CC(=O)c1c(C)cc(C(C)(C)C)cc1C
- Molecular Weight1
- 204.31
- CAS
- 2040-10-0
- Other Names
-
- 4-t-Butyl-2,6-dimethylacetophenone
- 4-tert-Butyl-2,6-dimethylacetophenone
- Ethanone, 1-[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]-
- Acetophenone, 4'-tert-butyl-2',6'-dimethyl-
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 24.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -251.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.47 | kJ/mol | Joback Calculated Property |
| log10WS | -4.40 | Crippen Calculated Property | |
| logPoct/wat | 3.804 | Crippen Calculated Property | |
| McVol | 185.930 | ml/mol | McGowan Calculated Property |
| Pc | 2077.43 | kPa | Joback Calculated Property |
| Tboil | 611.98 | K | Joback Calculated Property |
| Tc | 828.53 | K | Joback Calculated Property |
| Tfus | 363.87 | K | Joback Calculated Property |
| Vc | 0.707 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [469.43; 556.23] | J/mol×K | [611.98; 828.53] | 
|
| Cp,gas | 469.43 | J/mol×K | 611.98 | Joback Calculated Property |
| Cp,gas | 486.29 | J/mol×K | 648.07 | Joback Calculated Property |
| Cp,gas | 502.13 | J/mol×K | 684.16 | Joback Calculated Property |
| Cp,gas | 517.00 | J/mol×K | 720.26 | Joback Calculated Property |
| Cp,gas | 530.94 | J/mol×K | 756.35 | Joback Calculated Property |
| Cp,gas | 544.00 | J/mol×K | 792.44 | Joback Calculated Property |
| Cp,gas | 556.23 | J/mol×K | 828.53 | Joback Calculated Property |
| η | [0.0001608; 0.0014848] | Pa×s | [363.87; 611.98] |
|
| η | 0.0014848 | Pa×s | 363.87 | Joback Calculated Property |
| η | 0.0008485 | Pa×s | 405.22 | Joback Calculated Property |
| η | 0.0005379 | Pa×s | 446.57 | Joback Calculated Property |
| η | 0.0003683 | Pa×s | 487.93 | Joback Calculated Property |
| η | 0.0002676 | Pa×s | 529.28 | Joback Calculated Property |
| η | 0.0002036 | Pa×s | 570.63 | Joback Calculated Property |
| η | 0.0001608 | Pa×s | 611.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4'-tert-Butyl-2',6'-dimethylacetophenone.
Sources
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