- InChI
- InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H
- InChI Key
- AFPRJLBZLPBTPZ-UHFFFAOYSA-N
- Formula
- C12H6O2
- SMILES
- O=C1C(=O)c2cccc3cccc1c23
- Molecular Weight1
- 182.17
- CAS
- 82-86-0
- Other Names
-
- Acenaphthenedione
- Acenaphthenequinone
- Acenaphthoquinone
- 1,2-Acenaphthenedione
- 1,2-Acenaphthenequinone
- 1,2-Acenaphthalenedione
- Acenaphthylene-1,2-dione
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 85.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -62.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.09 | kJ/mol | Joback Calculated Property |
| IE | [8.60; 8.77] | eV |
|
| IE | 8.60 | eV | NIST |
| IE | 8.77 ± 0.05 | eV | NIST |
| log10WS | -3.65 | Crippen Calculated Property | |
| logPoct/wat | 2.219 | Crippen Calculated Property | |
| McVol | 129.000 | ml/mol | McGowan Calculated Property |
| Pc | 3829.28 | kPa | Joback Calculated Property |
| Inp | [313.60; 1812.00] |
|
|
| Inp | 1812.00 | NIST | |
| Inp | 314.10 | NIST | |
| Inp | 313.60 | NIST | |
| Tboil | 672.36 | K | Joback Calculated Property |
| Tc | 940.56 | K | Joback Calculated Property |
| Tfus | [525.15; 533.65] | K |
|
| Tfus | 533.65 ± 2.00 | K | NIST |
| Tfus | 525.15 ± 4.00 | K | NIST |
| Vc | 0.501 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [321.75; 382.67] | J/mol×K | [672.36; 940.56] |
|
| Cp,gas | 321.75 | J/mol×K | 672.36 | Joback Calculated Property |
| Cp,gas | 334.08 | J/mol×K | 717.06 | Joback Calculated Property |
| Cp,gas | 345.45 | J/mol×K | 761.76 | Joback Calculated Property |
| Cp,gas | 355.93 | J/mol×K | 806.46 | Joback Calculated Property |
| Cp,gas | 365.59 | J/mol×K | 851.16 | Joback Calculated Property |
| Cp,gas | 374.48 | J/mol×K | 895.86 | Joback Calculated Property |
| Cp,gas | 382.67 | J/mol×K | 940.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Acenaphthylenedione.
Sources
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