- InChI
- InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
- InChI Key
- FRASJONUBLZVQX-UHFFFAOYSA-N
- Formula
- C10H6O2
- SMILES
- O=C1C=CC(=O)c2ccccc21
- Molecular Weight1
- 158.15
- CAS
- 130-15-4
- Other Names
-
- .alpha.-naphthoquinone
- 1,4-Dihydro-1,4-diketonaphthalene
- 1,4-Naftochinon
- 1,4-Naphthoquinone
- 1,4-Naphthylquinone
- 1,4-naphthaquinone
- NSC 9583
- Naphthoquinone
- Rcra waste number U166
- USAF CY-10
- p-Naphthoquinone
- «alpha»-Naphthoquinone
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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.
- I : 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 | [-4608.92; -4604.10] | kJ/mol |
|
| ΔcH°solid | -4604.10 ± 1.10 | kJ/mol | NIST |
| ΔcH°solid | -4608.92 | kJ/mol | NIST |
| ΔcH°solid | -4605.70 | kJ/mol | NIST |
| EA | [0.60; 1.81] | eV |
|
| EA | 1.81 ± 0.11 | eV | NIST |
| EA | 1.80 ± 0.05 | eV | NIST |
| EA | 0.80 | eV | NIST |
| EA | 0.60 | eV | NIST |
| ΔfG° | -22.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -97.50 ± 1.90 | kJ/mol | NIST |
| ΔfH°solid | -188.50 ± 1.70 | kJ/mol | NIST |
| ΔfusH° | 10.51 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [72.40; 91.00] | kJ/mol |
|
| ΔsubH° | 91.00 ± 0.80 | kJ/mol | NIST |
| ΔsubH° | 91.00 | kJ/mol | NIST |
| ΔsubH° | 91.00 ± 0.80 | kJ/mol | NIST |
| ΔsubH° | 72.40 | kJ/mol | NIST |
| ΔvapH° | 49.97 | kJ/mol | Joback Calculated Property |
| IE | [9.40; 9.67] | eV |
|
| IE | 9.50 ± 0.10 | eV | NIST |
| IE | 9.40 | eV | NIST |
| IE | 9.67 ± 0.02 | eV | NIST |
| IE | 9.49 | eV | NIST |
| IE | 9.56 ± 0.01 | eV | NIST |
| IE | 9.60 | eV | NIST |
| log10WS | -2.54 | Crippen Calculated Property | |
| logPoct/wat | 1.622 | Crippen Calculated Property | |
| McVol | 115.980 | ml/mol | McGowan Calculated Property |
| Pc | 4067.32 | kPa | Joback Calculated Property |
| Inp | [240.82; 1427.00] |
|
|
| Inp | 1410.00 | NIST | |
| Inp | 1418.00 | NIST | |
| Inp | 1427.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 241.61 | NIST | |
| Inp | 241.61 | NIST | |
| Inp | 241.60 | NIST | |
| Inp | 240.82 | NIST | |
| Inp | 240.82 | NIST | |
| Inp | 241.61 | NIST | |
| I | [2205.00; 2228.00] |
|
|
| I | 2205.00 | NIST | |
| I | 2216.00 | NIST | |
| I | 2228.00 | NIST | |
| Tboil | 610.34 | K | Joback Calculated Property |
| Tc | 877.21 | K | Joback Calculated Property |
| Tfus | 399.15 ± 2.00 | K | NIST |
| Vc | 0.438 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.12; 337.17] | J/mol×K | [610.34; 877.21] |
|
| Cp,gas | 271.12 | J/mol×K | 610.34 | Joback Calculated Property |
| Cp,gas | 284.57 | J/mol×K | 654.82 | Joback Calculated Property |
| Cp,gas | 297.05 | J/mol×K | 699.30 | Joback Calculated Property |
| Cp,gas | 308.56 | J/mol×K | 743.78 | Joback Calculated Property |
| Cp,gas | 319.09 | J/mol×K | 788.26 | Joback Calculated Property |
| Cp,gas | 328.63 | J/mol×K | 832.73 | Joback Calculated Property |
| Cp,gas | 337.17 | J/mol×K | 877.21 | Joback Calculated Property |
| ΔsubH | 91.00 ± 2.00 | kJ/mol | 313.00 | NIST |
Similar Compounds
Find more compounds similar to 1,4-Naphthalenedione.
Mixtures
- Carbon dioxide + 1,4-Naphthalenedione
- 1,4-Naphthalenedione + Acetone
- 1,4-Naphthalenedione + Ethanol
- Toluene + 1,4-Naphthalenedione
- 1,4-Naphthalenedione + 1-Butanol
Sources
- Crippen Method
- Crippen Method
- Measurement and Correlation of 1,4-Naphthoquinone and of Plumbagin Solubilities in Supercritical Carbon Dioxide
- Solubilities of 1,4-Naphthoquinone in Acetone, Toluene, Xylene, Ethanol, and n-Butyl Alcohol
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.