- InChI
- InChI=1S/C21H12ClNO3/c22-15-10-11-16(23-21(26)12-6-2-1-3-7-12)18-17(15)19(24)13-8-4-5-9-14(13)20(18)25/h1-11H,(H,23,26)
- InChI Key
- FNCVZYRPXOZNSM-UHFFFAOYSA-N
- Formula
- C21H12ClNO3
- SMILES
-
O=C(Nc1ccc(Cl)c2c1C(=O)c1ccccc
1C2=O)c1ccccc1 - Molecular Weight1
- 361.78
- CAS
- 81-45-8
- Other Names
-
- Benzamide, N-(4-chloro-1-anthraquinonyl)-
- Anthraquinone, 1-benzamido-4-chloro-
- Chlorobenzone
- 1-Benzamido-4-chloroanthraquinone
- 1-Benzoylamino-4-chloroanthraquinone
- 1-Chloro-4-benzamidoanthraquinone
- 1-Chloro-4-benzoylaminoanthraquinone
- 1-(Benzoylamino)-2-chloroanthraquinone
- 1Ba-4-Xa
- 4-Benzamido-1-chloroanthraquinone
- NSC 39954
- N-(4-chloro-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide
- 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 | 0.8418 | Relay (1.0) Calculated Property | |
| ΔfG° | 208.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -147.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.368 | Crippen Calculated Property | |
| McVol | 251.540 | ml/mol | McGowan Calculated Property |
| Pc | 2370.28 | kPa | Joback Calculated Property |
| Tboil | 737.07 | K | Relay (1.0) Calculated Property |
| Tc | 1166.95 | K | Relay (1.0) Calculated Property |
| Tfus | 499.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.906 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [753.03; 787.35] | J/mol×K | [1064.09; 1343.49] | 
|
| Cp,gas | 753.03 | J/mol×K | 1064.09 | Joback Calculated Property |
| Cp,gas | 761.73 | J/mol×K | 1110.66 | Joback Calculated Property |
| Cp,gas | 769.10 | J/mol×K | 1157.22 | Joback Calculated Property |
| Cp,gas | 775.26 | J/mol×K | 1203.79 | Joback Calculated Property |
| Cp,gas | 780.29 | J/mol×K | 1250.36 | Joback Calculated Property |
| Cp,gas | 784.29 | J/mol×K | 1296.93 | Joback Calculated Property |
| Cp,gas | 787.35 | J/mol×K | 1343.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(4-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)-.
Sources
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