- InChI
- InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2
- InChI Key
- XOGPDSATLSAZEK-UHFFFAOYSA-N
- Formula
- C14H9NO2
- SMILES
- Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
- Molecular Weight1
- 223.23
- CAS
- 117-79-3
- Other Names
-
- 9,10-Anthracenedione, 2-amino-
- «beta»-Aminoanthraquinone
- 2-Amino-9,10-anthraquinone
- 2-Aminoanthraquinone
- AAQ
- NCI-C01876
- 2-Amino-9,10-anthracenedione
- 2-AAQ
- «beta»-Anthraquinonylamine
- beta-Aminoanthraquinone
- NSC 5
- 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 | 0.6982 | Relay (1.0) Calculated Property | |
| ΔfG° | 164.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -84.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.044 | Crippen Calculated Property | |
| McVol | 162.860 | ml/mol | McGowan Calculated Property |
| Pc | 3543.08 | kPa | Joback Calculated Property |
| Inp | [406.00; 408.00] |
|
|
| Inp | 406.00 | NIST | |
| Inp | 406.03 | NIST | |
| Inp | 407.06 | NIST | |
| Inp | 408.00 | NIST | |
| Inp | 406.00 | NIST | |
| Tboil | 685.16 | K | Relay (1.0) Calculated Property |
| Tc | 1013.71 | K | Relay (1.0) Calculated Property |
| Tfus | 524.00 ± 1.00 | K | NIST |
| Vc | 0.600 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [455.33; 513.96] | J/mol×K | [803.33; 1081.85] |
|
| Cp,gas | 455.33 | J/mol×K | 803.33 | Joback Calculated Property |
| Cp,gas | 468.05 | J/mol×K | 849.75 | Joback Calculated Property |
| Cp,gas | 479.54 | J/mol×K | 896.17 | Joback Calculated Property |
| Cp,gas | 489.82 | J/mol×K | 942.59 | Joback Calculated Property |
| Cp,gas | 498.96 | J/mol×K | 989.01 | Joback Calculated Property |
| Cp,gas | 506.99 | J/mol×K | 1035.43 | Joback Calculated Property |
| Cp,gas | 513.96 | J/mol×K | 1081.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Anthraquinone, 2-amino-.
Sources
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