- InChI
- InChI=1S/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2
- InChI Key
- OBLNWSCLAYSJJR-UHFFFAOYSA-N
- Formula
- C10H6ClNO2
- SMILES
- NC1=C(Cl)C(=O)c2ccccc2C1=O
- Molecular Weight1
- 207.61
- CAS
- 2797-51-5
- Other Names
-
- Quinoclamine
- ACN
- ACNQ
- 2-Amino-3-chloronaphthoquinone
- 2-Amino-3-chloro-1,4-naphthoquinone
- 2-Chloro-3-amino-1,4-naphthoquinone
- 3-Chloro-2-amino-1,4-naphthoquinone
- Mogeton
- 1,4-Naphthoquinone, 2-amino-3-chloro-
- 06K-Quinone
- O 6K-quinone
- Mogeton G
- Mogeton granule
- 06K
- 06K-50W
- NSC 3910
- NSC 642009
- Quinoclamin
- 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 | 0.5799 | Relay (1.0) Calculated Property | |
| ΔfG° | 12.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -122.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.475 | Crippen Calculated Property | |
| McVol | 138.200 | ml/mol | McGowan Calculated Property |
| Pc | 4015.93 | kPa | Joback Calculated Property |
| Inp | [1961.00; 1974.00] |
|
|
| Inp | 1961.00 | NIST | |
| Inp | 1974.00 | NIST | |
| Inp | 1968.00 | NIST | |
| Inp | 1961.00 | NIST | |
| Inp | 1961.00 | NIST | |
| Inp | 1968.00 | NIST | |
| Tboil | 601.68 | K | Relay (1.0) Calculated Property |
| Tc | 914.94 | K | Relay (1.0) Calculated Property |
| Tfus | 473.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.489 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [342.29; 394.29] | J/mol×K | [730.26; 1005.50] |
|
| Cp,gas | 342.29 | J/mol×K | 730.26 | Joback Calculated Property |
| Cp,gas | 353.66 | J/mol×K | 776.13 | Joback Calculated Property |
| Cp,gas | 363.99 | J/mol×K | 822.01 | Joback Calculated Property |
| Cp,gas | 373.24 | J/mol×K | 867.88 | Joback Calculated Property |
| Cp,gas | 381.39 | J/mol×K | 913.75 | Joback Calculated Property |
| Cp,gas | 388.42 | J/mol×K | 959.63 | Joback Calculated Property |
| Cp,gas | 394.29 | J/mol×K | 1005.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Naphthalenedione, 2-amino-3-chloro-.
Sources
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