- InChI
- InChI=1S/C14H7ClO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H
- InChI Key
- FPKCTSIVDAWGFA-UHFFFAOYSA-N
- Formula
- C14H7ClO2
- SMILES
- O=C1c2ccccc2C(=O)c2cc(Cl)ccc21
- Molecular Weight1
- 242.66
- CAS
- 131-09-9
- Other Names
-
- Anthraquinone, 2-chloro-
- «beta»-Chloroanthraquinone
- 2-Chloro-9,10-anthraquinone
- 2-Chloroanthraquinone
- 2-Chloro-9,10-anthracenedione
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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 | 0.6012 | Relay (1.0) Calculated Property | |
| ΔfG° | 86.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -127.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.115 | Crippen Calculated Property | |
| McVol | 165.120 | ml/mol | McGowan Calculated Property |
| Pc | 3177.55 | kPa | Joback Calculated Property |
| Inp | [353.00; 356.47] |
|
|
| Inp | 353.00 | NIST | |
| Inp | 355.88 | NIST | |
| Inp | 356.00 | NIST | |
| Inp | 356.47 | NIST | |
| Tboil | 647.88 | K | Relay (1.0) Calculated Property |
| Tc | 962.11 | K | Relay (1.0) Calculated Property |
| Tfus | [482.85; 483.55] | K |
|
| Tfus | 483.15 ± 1.00 | K | NIST |
| Tfus | 483.55 ± 0.40 | K | NIST |
| Tfus | 482.85 ± 0.30 | K | NIST |
| Tfus | 482.95 ± 0.20 | K | NIST |
| Vc | 0.609 | 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 |
| ΔfusH | [38.96; 39.00] | kJ/mol | [483.00; 483.02] |
|
| ΔfusH | 39.00 | kJ/mol | 483.00 | NIST |
| ΔfusH | 38.96 | kJ/mol | 483.02 | NIST |
Similar Compounds
Find more compounds similar to 9,10-Anthracenedione, 2-chloro-.
Sources
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