- InChI
- InChI=1S/C18H10O2/c19-17-13-7-3-4-8-14(13)18(20)16-10-12-6-2-1-5-11(12)9-15(16)17/h1-10H
- InChI Key
- LZPBKINTWROMEA-UHFFFAOYSA-N
- Formula
- C18H10O2
- SMILES
-
O=C1c2ccccc2C(=O)c2cc3ccccc3cc
21 - Molecular Weight1
- 258.27
- CAS
- 1090-13-7
- Other Names
-
- 5,12-Naphthacenequinone
- Naphthacene-6,11-quinone
- Naphthacenequinone
- 5,12-Tetracenequinone
- Naphthacene-5,12-dione
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔcH°solid | -8368.92 | kJ/mol | NIST |
| ΔfH°gas | -11.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.49 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 109.00 | kJ/mol | NIST |
| ΔvapH° | 113.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.615 | Crippen Calculated Property | |
| McVol | 189.780 | ml/mol | McGowan Calculated Property |
| Pc | 2841.41 | kPa | Joback Calculated Property |
| Inp | [426.25; 2595.00] |
|
|
| Inp | 2595.00 | NIST | |
| Inp | 430.57 | NIST | |
| Inp | 426.25 | NIST | |
| Inp | 428.00 | NIST | |
| Inp | 2595.00 | NIST | |
| Tboil | 710.75 | K | Relay (1.0) Calculated Property |
| Tc | 1045.92 | K | Relay (1.0) Calculated Property |
| Tfus | 539.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.708 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [538.85; 605.11] | J/mol×K | [841.50; 1121.56] |
|
| Cp,gas | 538.85 | J/mol×K | 841.50 | Joback Calculated Property |
| Cp,gas | 552.51 | J/mol×K | 888.18 | Joback Calculated Property |
| Cp,gas | 564.97 | J/mol×K | 934.85 | Joback Calculated Property |
| Cp,gas | 576.34 | J/mol×K | 981.53 | Joback Calculated Property |
| Cp,gas | 586.75 | J/mol×K | 1028.21 | Joback Calculated Property |
| Cp,gas | 596.30 | J/mol×K | 1074.88 | Joback Calculated Property |
| Cp,gas | 605.11 | J/mol×K | 1121.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5,12-Naphthacenedione.
Sources
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