- InChI
- InChI=1S/C13H9Cl2NO/c14-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)15/h1-8H,(H,16,17)
- InChI Key
- HWDAIZBRWARIMB-UHFFFAOYSA-N
- Formula
- C13H9Cl2NO
- SMILES
- O=C(Nc1cccc(Cl)c1)c1ccccc1Cl
- Molecular Weight1
- 266.12
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6171 | Relay (1.0) Calculated Property | |
| ΔfG° | 200.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -39.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.246 | Crippen Calculated Property | |
| McVol | 182.540 | ml/mol | McGowan Calculated Property |
| Pc | 2979.54 | kPa | Joback Calculated Property |
| Inp | [2239.00; 2239.00] |
|
|
| Inp | 2239.00 | NIST | |
| Inp | 2239.00 | NIST | |
| Tboil | 623.94 | K | Relay (1.0) Calculated Property |
| Tc | 956.60 | K | Relay (1.0) Calculated Property |
| Tfus | 398.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.645 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [433.96; 488.47] | J/mol×K | [739.06; 994.35] |
|
| Cp,gas | 433.96 | J/mol×K | 739.06 | Joback Calculated Property |
| Cp,gas | 445.49 | J/mol×K | 781.61 | Joback Calculated Property |
| Cp,gas | 455.93 | J/mol×K | 824.16 | Joback Calculated Property |
| Cp,gas | 465.38 | J/mol×K | 866.71 | Joback Calculated Property |
| Cp,gas | 473.90 | J/mol×K | 909.26 | Joback Calculated Property |
| Cp,gas | 481.57 | J/mol×K | 951.80 | Joback Calculated Property |
| Cp,gas | 488.47 | J/mol×K | 994.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-chlorophenyl)-2-chloro-.
Sources
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