- InChI
- InChI=1S/C23H22O/c1-17-11-7-9-15-21(17)23(19(3)24,20-13-5-4-6-14-20)22-16-10-8-12-18(22)2/h4-16H,1-3H3
- InChI Key
- GMOUGOGLADCJGU-UHFFFAOYSA-N
- Formula
- C23H22O
- SMILES
-
CC(=O)C(c1ccccc1)(c1ccccc1C)c1
ccccc1C - Molecular Weight1
- 314.42
- CAS
- 6324-65-8
- 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 | 0.5875 | Relay (1.0) Calculated Property | |
| ΔfG° | 334.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 94.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.227 | Crippen Calculated Property | |
| McVol | 265.220 | ml/mol | McGowan Calculated Property |
| Pc | 1763.93 | kPa | Joback Calculated Property |
| Tboil | 667.08 | K | Relay (1.0) Calculated Property |
| Tc | 970.37 | K | Relay (1.0) Calculated Property |
| Tfus | 445.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.914 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [787.77; 869.57] | J/mol×K | [866.28; 1125.71] | 
|
| Cp,gas | 787.77 | J/mol×K | 866.28 | Joback Calculated Property |
| Cp,gas | 804.38 | J/mol×K | 909.52 | Joback Calculated Property |
| Cp,gas | 819.57 | J/mol×K | 952.76 | Joback Calculated Property |
| Cp,gas | 833.51 | J/mol×K | 995.99 | Joback Calculated Property |
| Cp,gas | 846.38 | J/mol×K | 1039.23 | Joback Calculated Property |
| Cp,gas | 858.34 | J/mol×K | 1082.47 | Joback Calculated Property |
| Cp,gas | 869.57 | J/mol×K | 1125.71 | Joback Calculated Property |
| η | [0.0000555; 0.0006350] | Pa×s | [505.62; 866.28] |
|
| η | 0.0006350 | Pa×s | 505.62 | Joback Calculated Property |
| η | 0.0003409 | Pa×s | 565.73 | Joback Calculated Property |
| η | 0.0002062 | Pa×s | 625.84 | Joback Calculated Property |
| η | 0.0001362 | Pa×s | 685.95 | Joback Calculated Property |
| η | 0.0000962 | Pa×s | 746.06 | Joback Calculated Property |
| η | 0.0000716 | Pa×s | 806.17 | Joback Calculated Property |
| η | 0.0000555 | Pa×s | 866.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Phenyl-1,1-di-o-tolyl-2-propanone.
Sources
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