- InChI
- InChI=1S/C14H7ClO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H
- InChI Key
- BOCJQSFSGAZAPQ-UHFFFAOYSA-N
- Formula
- C14H7ClO2
- SMILES
- O=C1c2ccccc2C(=O)c2c(Cl)cccc21
- Molecular Weight1
- 242.66
- CAS
- 82-44-0
- Other Names
-
- 1-Chloranthrachinon
- 1-Chloro-9,10-anthraquinone
- 1-Chloroanthraquinone
- Anthraquinone, 1-chloro-
- chloroanthraquinone
- «alpha»-Chloroanthraquinone
- «alpha»-Monochloroanthraquinone
- «alpha»-Chloroanthraquinone
- «alpha»-Monochloroanthraquinone
- ω : Acentric Factor.
- 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).
- 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 | 0.5984 | Relay (1.0) Calculated Property | |
| EA | 1.71 ± 0.06 | eV | NIST |
| ΔfG° | 86.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -118.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.54 | Aq. Solubility Prediction | |
| logPoct/wat | 3.115 | Crippen Calculated Property | |
| McVol | 165.120 | ml/mol | McGowan Calculated Property |
| Pc | 3177.55 | kPa | Joback Calculated Property |
| Tboil | 643.36 | K | Relay (1.0) Calculated Property |
| Tc | 969.78 | K | Relay (1.0) Calculated Property |
| Tfus | [434.65; 435.20] | K |
|
| Tfus | 434.65 | K | Aq. Solubility Prediction |
| Tfus | 435.20 | K | Solubility Measurement and Modeling for 2-Benzoyl-3-chlorobenzoic Acid and 1-Chloroanthraquinone in Organic Solvents |
| Vc | 0.607 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [421.60; 480.23] | J/mol×K | [768.23; 1045.44] |
|
| Cp,gas | 421.60 | J/mol×K | 768.23 | Joback Calculated Property |
| Cp,gas | 434.19 | J/mol×K | 814.43 | Joback Calculated Property |
| Cp,gas | 445.60 | J/mol×K | 860.63 | Joback Calculated Property |
| Cp,gas | 455.86 | J/mol×K | 906.84 | Joback Calculated Property |
| Cp,gas | 465.03 | J/mol×K | 953.04 | Joback Calculated Property |
| Cp,gas | 473.13 | J/mol×K | 999.24 | Joback Calculated Property |
| Cp,gas | 480.23 | J/mol×K | 1045.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9,10-Anthracenedione, 1-chloro-.
Mixtures
- 9,10-Anthracenedione, 1-chloro- + Ethyl Acetate
- 9,10-Anthracenedione, 1-chloro- + Acetone
- 9,10-Anthracenedione, 1-chloro- + 1,4-Dioxane
- Toluene + 9,10-Anthracenedione, 1-chloro-
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Solubility Measurement and Modeling for 2-Benzoyl-3-chlorobenzoic Acid and 1-Chloroanthraquinone in Organic Solvents
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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