- InChI
- InChI=1S/C7H3Cl2NO3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H
- InChI Key
- IWLGXPWQZDOMSB-UHFFFAOYSA-N
- Formula
- C7H3Cl2NO3
- SMILES
-
O=C(Cl)c1ccc(Cl)c([N+](=O)[O-]
)c1 - Molecular Weight1
- 220.01
- CAS
- 38818-50-7
- Other Names
-
- Benzoyl chloride, 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° | -16.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -129.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.88 | kJ/mol | Joback Calculated Property |
| log10WS | -3.70 | Crippen Calculated Property | |
| logPoct/wat | 2.627 | Crippen Calculated Property | |
| McVol | 129.200 | ml/mol | McGowan Calculated Property |
| Pc | 3965.51 | kPa | Joback Calculated Property |
| Tboil | 676.77 | K | Joback Calculated Property |
| Tc | 940.91 | K | Joback Calculated Property |
| Tfus | 473.49 | K | Joback Calculated Property |
| Vc | 0.505 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [267.35; 302.69] | J/mol×K | [676.77; 940.91] | 
|
| Cp,gas | 267.35 | J/mol×K | 676.77 | Joback Calculated Property |
| Cp,gas | 274.94 | J/mol×K | 720.79 | Joback Calculated Property |
| Cp,gas | 281.80 | J/mol×K | 764.82 | Joback Calculated Property |
| Cp,gas | 287.96 | J/mol×K | 808.84 | Joback Calculated Property |
| Cp,gas | 293.47 | J/mol×K | 852.86 | Joback Calculated Property |
| Cp,gas | 298.37 | J/mol×K | 896.88 | Joback Calculated Property |
| Cp,gas | 302.69 | J/mol×K | 940.91 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 443.30 ± 0.30 | K | 2.90 | NIST |
Similar Compounds
Find more compounds similar to 4-Chloro-3-nitrobenzoyl chloride.
Sources
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