- 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
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6685 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -8368.92 | kJ/mol | NIST |
| ΔfG° | 238.64 | kJ/mol | Joback Calculated Property |
| 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° | 114.50 | 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 | 1045.78 | K | Relay (1.0) Calculated Property |
| Tfus | 538.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.709 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [538.79; 605.06] | J/mol×K | [841.30; 1121.29] |
|
| Cp,gas | 538.79 | J/mol×K | 841.30 | Joback Calculated Property |
| Cp,gas | 552.45 | J/mol×K | 887.97 | Joback Calculated Property |
| Cp,gas | 564.92 | J/mol×K | 934.63 | Joback Calculated Property |
| Cp,gas | 576.29 | J/mol×K | 981.30 | Joback Calculated Property |
| Cp,gas | 586.69 | J/mol×K | 1027.96 | Joback Calculated Property |
| Cp,gas | 596.25 | J/mol×K | 1074.63 | Joback Calculated Property |
| Cp,gas | 605.06 | J/mol×K | 1121.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5,12-Naphthacenedione.
Sources
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