- InChI
- InChI=1S/C14H8ClNO2/c15-11-5-9-10(6-12(11)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,16H2
- InChI Key
- VMOJFUJVEWWUAV-UHFFFAOYSA-N
- Formula
- C14H8ClNO2
- SMILES
-
Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=
O - Molecular Weight1
- 257.67
- CAS
- 84-46-8
- Other Names
-
- Anthraquinone, 2-amino-3-chloro-
- 2-Amino-3-chloroanthraquinone
- 3-x-2-AA
- 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).
- 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 | 0.7026 | Relay (1.0) Calculated Property | |
| ΔfG° | 143.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -120.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.698 | Crippen Calculated Property | |
| McVol | 175.100 | ml/mol | McGowan Calculated Property |
| Pc | 3333.53 | kPa | Joback Calculated Property |
| Tboil | 676.10 | K | Relay (1.0) Calculated Property |
| Tc | 1030.86 | K | Relay (1.0) Calculated Property |
| Tfus | 480.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.637 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.37; 523.89] | J/mol×K | [845.74; 1125.67] | 
|
| Cp,gas | 473.37 | J/mol×K | 845.74 | Joback Calculated Property |
| Cp,gas | 484.65 | J/mol×K | 892.39 | Joback Calculated Property |
| Cp,gas | 494.74 | J/mol×K | 939.05 | Joback Calculated Property |
| Cp,gas | 503.68 | J/mol×K | 985.70 | Joback Calculated Property |
| Cp,gas | 511.49 | J/mol×K | 1032.36 | Joback Calculated Property |
| Cp,gas | 518.22 | J/mol×K | 1079.01 | Joback Calculated Property |
| Cp,gas | 523.89 | J/mol×K | 1125.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9,10-Anthracenedione, 2-amino-3-chloro-.
Sources
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