- InChI
- InChI=1S/C16H16O/c1-11-9-12(2)15(13(3)10-11)16(17)14-7-5-4-6-8-14/h4-10H,1-3H3
- InChI Key
- HPAFOABSQZMTHE-UHFFFAOYSA-N
- Formula
- C16H16O
- SMILES
- Cc1cc(C)c(C(=O)c2ccccc2)c(C)c1
- Molecular Weight1
- 224.30
- CAS
- 954-16-5
- Other Names
-
- Ketone, mesityl phenyl
- Mesityl phenyl ketone
- Mesitylene, 2-benzoyl-
- Methanone, phenyl(2,4,6-trimethylphenyl)-
- 2,4,6-Trimethylbenzophenone
- 2,4,6-Trimetilbenzofenon
- 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 |
|---|---|---|---|
| ΔfG° | 150.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -47.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.49 | kJ/mol | Joback Calculated Property |
| IE | [8.00; 8.32] | eV |
|
| IE | 8.00 | eV | NIST |
| IE | 8.32 | eV | NIST |
| log10WS | -4.86 | Crippen Calculated Property | |
| logPoct/wat | 3.843 | Crippen Calculated Property | |
| McVol | 190.350 | ml/mol | McGowan Calculated Property |
| Pc | 2324.78 | kPa | Joback Calculated Property |
| Tboil | 687.65 | K | Joback Calculated Property |
| Tc | 926.61 | K | Joback Calculated Property |
| Tfus | 410.41 | K | Joback Calculated Property |
| Vc | 0.722 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [489.90; 570.04] | J/mol×K | [687.65; 926.61] |
|
| Cp,gas | 489.90 | J/mol×K | 687.65 | Joback Calculated Property |
| Cp,gas | 506.00 | J/mol×K | 727.48 | Joback Calculated Property |
| Cp,gas | 520.93 | J/mol×K | 767.30 | Joback Calculated Property |
| Cp,gas | 534.74 | J/mol×K | 807.13 | Joback Calculated Property |
| Cp,gas | 547.50 | J/mol×K | 846.96 | Joback Calculated Property |
| Cp,gas | 559.24 | J/mol×K | 886.78 | Joback Calculated Property |
| Cp,gas | 570.04 | J/mol×K | 926.61 | Joback Calculated Property |
| η | [0.0001544; 0.0010758] | Pa×s | [410.41; 687.65] |
|
| η | 0.0010758 | Pa×s | 410.41 | Joback Calculated Property |
| η | 0.0006609 | Pa×s | 456.62 | Joback Calculated Property |
| η | 0.0004440 | Pa×s | 502.82 | Joback Calculated Property |
| η | 0.0003190 | Pa×s | 549.03 | Joback Calculated Property |
| η | 0.0002412 | Pa×s | 595.24 | Joback Calculated Property |
| η | 0.0001899 | Pa×s | 641.44 | Joback Calculated Property |
| η | 0.0001544 | Pa×s | 687.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzophenone, 2,4,6-trimethyl-.
Sources
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