- InChI
- InChI=1S/C10H9ClN2O/c11-9-4-2-8(3-5-9)10(14)13-7-1-6-12/h2-5H,1,7H2,(H,13,14)
- InChI Key
- CXBXWIVEMGBDTH-UHFFFAOYSA-N
- Formula
- C10H9ClN2O
- SMILES
- N#CCCNC(=O)c1ccc(Cl)cc1
- Molecular Weight1
- 208.64
- CAS
- 22192-82-1
- 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).
- 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° | 217.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 65.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.84 | kJ/mol | Joback Calculated Property |
| log10WS | -3.21 | Crippen Calculated Property | |
| logPoct/wat | 1.983 | Crippen Calculated Property | |
| McVol | 153.170 | ml/mol | McGowan Calculated Property |
| Pc | 2928.17 | kPa | Joback Calculated Property |
| Tboil | 703.41 | K | Joback Calculated Property |
| Tc | 936.10 | K | Joback Calculated Property |
| Tfus | 438.90 | K | Joback Calculated Property |
| Vc | 0.604 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [366.59; 414.96] | J/mol×K | [703.41; 936.10] | 
|
| Cp,gas | 366.59 | J/mol×K | 703.41 | Joback Calculated Property |
| Cp,gas | 376.42 | J/mol×K | 742.19 | Joback Calculated Property |
| Cp,gas | 385.50 | J/mol×K | 780.97 | Joback Calculated Property |
| Cp,gas | 393.85 | J/mol×K | 819.76 | Joback Calculated Property |
| Cp,gas | 401.52 | J/mol×K | 858.54 | Joback Calculated Property |
| Cp,gas | 408.54 | J/mol×K | 897.32 | Joback Calculated Property |
| Cp,gas | 414.96 | J/mol×K | 936.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chloro-n-(2-cyanoethyl)benzamide.
Sources
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