- InChI
- InChI=1S/C14H6ClNO4/c15-9-5-1-3-7-11(9)13(17)8-4-2-6-10(16(19)20)12(8)14(7)18/h1-6H
- InChI Key
- VOZLLWQPJJSWPR-UHFFFAOYSA-N
- Formula
- C14H6ClNO4
- SMILES
-
O=C1c2cccc([N+](=O)[O-])c2C(=O
)c2cccc(Cl)c21 - Molecular Weight1
- 287.65
- CAS
- 129-40-8
- Other Names
-
- 1-Chloro-5-nitroanthraquinone
- 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 | 0.7373 | Relay (1.0) Calculated Property | |
| ΔfG° | 112.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -129.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.024 | Crippen Calculated Property | |
| McVol | 182.540 | ml/mol | McGowan Calculated Property |
| Pc | 3166.83 | kPa | Joback Calculated Property |
| Tboil | 661.02 | K | Relay (1.0) Calculated Property |
| Tc | 1034.28 | K | Relay (1.0) Calculated Property |
| Tfus | 444.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.653 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [502.51; 540.63] | J/mol×K | [925.05; 1215.77] | 
|
| Cp,gas | 502.51 | J/mol×K | 925.05 | Joback Calculated Property |
| Cp,gas | 511.87 | J/mol×K | 973.50 | Joback Calculated Property |
| Cp,gas | 519.97 | J/mol×K | 1021.96 | Joback Calculated Property |
| Cp,gas | 526.85 | J/mol×K | 1070.41 | Joback Calculated Property |
| Cp,gas | 532.55 | J/mol×K | 1118.87 | Joback Calculated Property |
| Cp,gas | 537.13 | J/mol×K | 1167.32 | Joback Calculated Property |
| Cp,gas | 540.63 | J/mol×K | 1215.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Anthraquinone, 1-chloro-5-nitro.
Sources
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