- InChI
- InChI=1S/C16H12O/c1-11(17)14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14/h2-10H,1H3
- InChI Key
- JKVNPRNAHRHQDD-UHFFFAOYSA-N
- Formula
- C16H12O
- SMILES
- CC(=O)c1ccc2ccc3ccccc3c2c1
- Molecular Weight1
- 220.27
- CAS
- 2039-76-1
- Other Names
-
- Ethanone, 1-(3-phenanthrenyl)-
- Ketone, methyl 3-phenanthryl
- methyl 3-phenanthryl ketone
- 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° | 261.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 109.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.84 | kJ/mol | Joback Calculated Property |
| log10WS | -5.74 | Crippen Calculated Property | |
| logPoct/wat | 4.196 | Crippen Calculated Property | |
| McVol | 175.190 | ml/mol | McGowan Calculated Property |
| Pc | 2770.08 | kPa | Joback Calculated Property |
| Tboil | 693.95 | K | Joback Calculated Property |
| Tc | 943.48 | K | Joback Calculated Property |
| Tfus | 436.87 | K | Joback Calculated Property |
| Vc | 0.673 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.19; 515.03] | J/mol×K | [693.95; 943.48] | 
|
| Cp,gas | 445.19 | J/mol×K | 693.95 | Joback Calculated Property |
| Cp,gas | 459.14 | J/mol×K | 735.54 | Joback Calculated Property |
| Cp,gas | 471.99 | J/mol×K | 777.13 | Joback Calculated Property |
| Cp,gas | 483.87 | J/mol×K | 818.71 | Joback Calculated Property |
| Cp,gas | 494.92 | J/mol×K | 860.30 | Joback Calculated Property |
| Cp,gas | 505.26 | J/mol×K | 901.89 | Joback Calculated Property |
| Cp,gas | 515.03 | J/mol×K | 943.48 | Joback Calculated Property |
| η | [0.0004914; 0.0016094] | Pa×s | [436.87; 693.95] |
|
| η | 0.0016094 | Pa×s | 436.87 | Joback Calculated Property |
| η | 0.0012091 | Pa×s | 479.72 | Joback Calculated Property |
| η | 0.0009519 | Pa×s | 522.56 | Joback Calculated Property |
| η | 0.0007771 | Pa×s | 565.41 | Joback Calculated Property |
| η | 0.0006528 | Pa×s | 608.26 | Joback Calculated Property |
| η | 0.0005611 | Pa×s | 651.10 | Joback Calculated Property |
| η | 0.0004914 | Pa×s | 693.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Acetylphenanthrene.
Sources
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