- InChI
- InChI=1S/C14H12O/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-2,4-5,8-9H,3,6-7H2
- InChI Key
- KBARGPSSEIXDQU-UHFFFAOYSA-N
- Formula
- C14H12O
- SMILES
- O=C1CCCc2c1ccc1ccccc21
- Molecular Weight1
- 196.24
- CAS
- 573-22-8
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.5374 | Relay (... Calculated Property | |
| ΔfG° | 200.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -27.96 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.13 | kJ/mol | Relay (... Calculated Property |
| IE | 8.16 | eV | Relay (... Calculated Property |
| log10WS | -4.13 | Relay (... Calculated Property | |
| logPoct/wat | 3.359 | Crippen Calculated Property | |
| McVol | 155.610 | ml/mol | McGowan Calculated Property |
| Pc | 3110.57 | kPa | Joback Calculated Property |
| Tboil | 641.25 | K | Relay (... Calculated Property |
| Tc | 914.96 | K | Relay (... Calculated Property |
| Tfus | 377.20 | K | Relay (... Calculated Property |
| Vc | 0.567 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [401.91; 482.44] | J/mol×K | [658.84; 920.33] | 
|
| Cp,gas | 401.91 | J/mol×K | 658.84 | Joback Calculated Property |
| Cp,gas | 418.25 | J/mol×K | 702.42 | Joback Calculated Property |
| Cp,gas | 433.30 | J/mol×K | 746.00 | Joback Calculated Property |
| Cp,gas | 447.14 | J/mol×K | 789.59 | Joback Calculated Property |
| Cp,gas | 459.88 | J/mol×K | 833.17 | Joback Calculated Property |
| Cp,gas | 471.62 | J/mol×K | 876.75 | Joback Calculated Property |
| Cp,gas | 482.44 | J/mol×K | 920.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Keto-1,2,3,4-tetra-hydrophenanthrene.
Sources
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