- InChI
- InChI=1S/C13H8ClNO3/c14-11-7-6-10(8-12(11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H
- InChI Key
- YBDBYPQFIMSFJW-UHFFFAOYSA-N
- Formula
- C13H8ClNO3
- SMILES
-
O=C(c1ccccc1)c1ccc(Cl)c([N+](=
O)[O-])c1 - Molecular Weight1
- 261.66
- CAS
- 56107-02-9
- Other Names
-
- Methanone, (4-chloro-3-nitrophenyl)(phenyl)
- Benzophenone, 4-chloro-3-nitro-
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfG° | 158.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -0.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.13 | kJ/mol | Joback Calculated Property |
| log10WS | -4.77 | Crippen Calculated Property | |
| logPoct/wat | 3.479 | Crippen Calculated Property | |
| McVol | 177.740 | ml/mol | McGowan Calculated Property |
| Pc | 3100.18 | kPa | Joback Calculated Property |
| Tboil | 803.30 | K | Joback Calculated Property |
| Tc | 1077.89 | K | Joback Calculated Property |
| Tfus | 537.61 | K | Joback Calculated Property |
| Vc | 0.684 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [451.99; 500.95] | J/mol×K | [803.30; 1077.89] | 
|
| Cp,gas | 451.99 | J/mol×K | 803.30 | Joback Calculated Property |
| Cp,gas | 462.69 | J/mol×K | 849.07 | Joback Calculated Property |
| Cp,gas | 472.25 | J/mol×K | 894.83 | Joback Calculated Property |
| Cp,gas | 480.76 | J/mol×K | 940.60 | Joback Calculated Property |
| Cp,gas | 488.32 | J/mol×K | 986.36 | Joback Calculated Property |
| Cp,gas | 495.02 | J/mol×K | 1032.13 | Joback Calculated Property |
| Cp,gas | 500.95 | J/mol×K | 1077.89 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 508.20 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to 4-Chloro-3-nitrobenzophenone.
Sources
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