- InChI
- InChI=1S/C7H4ClNO3/c8-7(10)5-3-1-2-4-6(5)9(11)12/h1-4H
- InChI Key
- BWWHTIHDQBHTHP-UHFFFAOYSA-N
- Formula
- C7H4ClNO3
- SMILES
- O=C(Cl)c1ccccc1[N+](=O)[O-]
- Molecular Weight1
- 185.56
- CAS
- 610-14-0
- Other Names
-
- 2-Nitrobenzoyl chloride
- Benzoyl chloride, 2-nitro-
- Benzoyl chloride, o-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° | 5.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -101.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.84 | kJ/mol | Joback Calculated Property |
| log10WS | -3.01 | Crippen Calculated Property | |
| logPoct/wat | 1.974 | Crippen Calculated Property | |
| McVol | 116.960 | ml/mol | McGowan Calculated Property |
| Pc | 4238.55 | kPa | Joback Calculated Property |
| Tboil | 634.36 | K | Joback Calculated Property |
| Tc | 895.19 | K | Joback Calculated Property |
| Tfus | 431.05 | K | Joback Calculated Property |
| Vc | 0.457 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.84; 292.21] | J/mol×K | [634.36; 895.19] | 
|
| Cp,gas | 250.84 | J/mol×K | 634.36 | Joback Calculated Property |
| Cp,gas | 259.60 | J/mol×K | 677.83 | Joback Calculated Property |
| Cp,gas | 267.55 | J/mol×K | 721.30 | Joback Calculated Property |
| Cp,gas | 274.74 | J/mol×K | 764.78 | Joback Calculated Property |
| Cp,gas | 281.22 | J/mol×K | 808.25 | Joback Calculated Property |
| Cp,gas | 287.03 | J/mol×K | 851.72 | Joback Calculated Property |
| Cp,gas | 292.21 | J/mol×K | 895.19 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 421.70 | K | 1.00 | NIST |
Similar Compounds
Find more compounds similar to o-Nitrobenzoyl chloride.
Sources
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