- InChI
- InChI=1S/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3
- InChI Key
- NJWGQARXZDRHCD-UHFFFAOYSA-N
- Formula
- C15H10O2
- SMILES
- Cc1ccc2c(c1)C(=O)c1ccccc1C2=O
- Molecular Weight1
- 222.24
- Other Names
-
- 2-Methylanthra-9,10-quinone
- 2-Methylanthracenedione
- 2-Methylanthraquinone
- Anthraquinone, 2-methyl-
- NSC 607
- Techtoquinone
- Tectochinon
- Tectoquinone
- «beta»-Methylanthraquinone
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.6176 | Relay (1.0) Calculated Property | |
| ΔfG° | 106.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -126.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.770 | Crippen Calculated Property | |
| McVol | 166.970 | ml/mol | McGowan Calculated Property |
| Pc | 2976.29 | kPa | Joback Calculated Property |
| Inp | [350.10; 2055.00] |
|
|
| Inp | 2035.00 | NIST | |
| Inp | 2055.00 | NIST | |
| Inp | 350.10 | NIST | |
| Inp | 352.70 | NIST | |
| Inp | 2035.00 | NIST | |
| Tboil | 650.95 | K | Relay (1.0) Calculated Property |
| Tc | 943.54 | K | Relay (1.0) Calculated Property |
| Tfus | [447.65; 449.45] | K |
|
| Tfus | 447.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 449.17 ± 0.35 | K | NIST |
| Tfus | 449.45 ± 0.25 | K | NIST |
| Vc | 0.625 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.75; 516.58] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.38600e+01 | |||
| Coefficient B | 9.42920e-01 | |||
| Coefficient C | -4.87480e-04 | |||
| Coefficient D | 7.50000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 208.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 262.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 309.99 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 352.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 390.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 424.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 453.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 478.24 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 499.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 516.58 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 9,10-ANTHRACENEDIONE, 2-METHYL-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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