- InChI
- InChI=1S/C13H16O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+
- InChI Key
- LLVCDRTZBYXKII-CMDGGOBGSA-N
- Formula
- C13H16O
- SMILES
- CC(C)CC(=O)C=Cc1ccccc1
- Molecular Weight1
- 188.27
- CAS
- 60796-12-5
- 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° | 119.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -75.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.12 | kJ/mol | Joback Calculated Property |
| log10WS | -3.43 | Crippen Calculated Property | |
| logPoct/wat | 3.315 | Crippen Calculated Property | |
| McVol | 167.540 | ml/mol | McGowan Calculated Property |
| Pc | 2470.27 | kPa | Joback Calculated Property |
| Tboil | 581.11 | K | Joback Calculated Property |
| Tc | 799.47 | K | Joback Calculated Property |
| Tfus | 292.54 | K | Joback Calculated Property |
| Vc | 0.635 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [397.71; 479.63] | J/mol×K | [581.11; 799.47] | 
|
| Cp,gas | 397.71 | J/mol×K | 581.11 | Joback Calculated Property |
| Cp,gas | 413.81 | J/mol×K | 617.50 | Joback Calculated Property |
| Cp,gas | 428.85 | J/mol×K | 653.90 | Joback Calculated Property |
| Cp,gas | 442.90 | J/mol×K | 690.29 | Joback Calculated Property |
| Cp,gas | 456.00 | J/mol×K | 726.69 | Joback Calculated Property |
| Cp,gas | 468.22 | J/mol×K | 763.08 | Joback Calculated Property |
| Cp,gas | 479.63 | J/mol×K | 799.47 | Joback Calculated Property |
| η | [0.0001666; 0.0037099] | Pa×s | [292.54; 581.11] |
|
| η | 0.0037099 | Pa×s | 292.54 | Joback Calculated Property |
| η | 0.0015352 | Pa×s | 340.63 | Joback Calculated Property |
| η | 0.0007903 | Pa×s | 388.73 | Joback Calculated Property |
| η | 0.0004709 | Pa×s | 436.83 | Joback Calculated Property |
| η | 0.0003109 | Pa×s | 484.92 | Joback Calculated Property |
| η | 0.0002212 | Pa×s | 533.01 | Joback Calculated Property |
| η | 0.0001666 | Pa×s | 581.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Methyl-1-phenyl-1-hexen-3-one, trans.
Sources
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