- InChI
- InChI=1S/C16H14O2/c1-11-7-3-5-9-13(11)15(17)16(18)14-10-6-4-8-12(14)2/h3-10H,1-2H3
- InChI Key
- QGVJJXJRGYQAST-UHFFFAOYSA-N
- Formula
- C16H14O2
- SMILES
- Cc1ccccc1C(=O)C(=O)c1ccccc1C
- Molecular Weight1
- 238.28
- CAS
- 2048-07-9
- 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 | 0.6245 | Relay (1.0) Calculated Property | |
| ΔfG° | 31.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -123.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.369 | Crippen Calculated Property | |
| McVol | 191.920 | ml/mol | McGowan Calculated Property |
| Pc | 2510.03 | kPa | Joback Calculated Property |
| Tboil | 610.22 | K | Relay (1.0) Calculated Property |
| Tc | 882.35 | K | Relay (1.0) Calculated Property |
| Tfus | 375.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.706 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [505.86; 575.54] | J/mol×K | [736.54; 980.06] | 
|
| Cp,gas | 505.86 | J/mol×K | 736.54 | Joback Calculated Property |
| Cp,gas | 520.21 | J/mol×K | 777.13 | Joback Calculated Property |
| Cp,gas | 533.38 | J/mol×K | 817.71 | Joback Calculated Property |
| Cp,gas | 545.44 | J/mol×K | 858.30 | Joback Calculated Property |
| Cp,gas | 556.44 | J/mol×K | 898.89 | Joback Calculated Property |
| Cp,gas | 566.45 | J/mol×K | 939.47 | Joback Calculated Property |
| Cp,gas | 575.54 | J/mol×K | 980.06 | Joback Calculated Property |
| η | [0.0001589; 0.0011624] | Pa×s | [447.82; 736.54] |
|
| η | 0.0011624 | Pa×s | 447.82 | Joback Calculated Property |
| η | 0.0007102 | Pa×s | 495.94 | Joback Calculated Property |
| η | 0.0004735 | Pa×s | 544.06 | Joback Calculated Property |
| η | 0.0003371 | Pa×s | 592.18 | Joback Calculated Property |
| η | 0.0002526 | Pa×s | 640.30 | Joback Calculated Property |
| η | 0.0001971 | Pa×s | 688.42 | Joback Calculated Property |
| η | 0.0001589 | Pa×s | 736.54 | Joback Calculated Property |
Similar Compounds
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Sources
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