- InChI
- InChI=1S/C7H6ClNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
- InChI Key
- MJTGQALMWUUPQM-UHFFFAOYSA-N
- Formula
- C7H6ClNO
- SMILES
- NC(=O)c1cccc(Cl)c1
- Molecular Weight1
- 155.58
- CAS
- 618-48-4
- Other Names
-
- m-Chlorobenzamide
- Benzamide, 3-chloro-
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 |
|---|---|---|---|
| PAff | 877.20 | kJ/mol | NIST |
| BasG | 846.30 | kJ/mol | NIST |
| ΔfG° | 36.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -57.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.89 | kJ/mol | Joback Calculated Property |
| IE | 9.34 | eV | NIST |
| log10WS | -2.33 | Crippen Calculated Property | |
| logPoct/wat | 1.439 | Crippen Calculated Property | |
| McVol | 109.520 | ml/mol | McGowan Calculated Property |
| Pc | 4498.26 | kPa | Joback Calculated Property |
| Tboil | 555.05 | K | Joback Calculated Property |
| Tc | 798.07 | K | Joback Calculated Property |
| Tfus | 370.70 | K | Joback Calculated Property |
| Vc | 0.404 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.12; 268.69] | J/mol×K | [555.05; 798.07] | 
|
| Cp,gas | 222.12 | J/mol×K | 555.05 | Joback Calculated Property |
| Cp,gas | 231.55 | J/mol×K | 595.55 | Joback Calculated Property |
| Cp,gas | 240.26 | J/mol×K | 636.06 | Joback Calculated Property |
| Cp,gas | 248.30 | J/mol×K | 676.56 | Joback Calculated Property |
| Cp,gas | 255.70 | J/mol×K | 717.06 | Joback Calculated Property |
| Cp,gas | 262.48 | J/mol×K | 757.56 | Joback Calculated Property |
| Cp,gas | 268.69 | J/mol×K | 798.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chlorobenzamide.
Sources
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