- InChI
- InChI=1S/C8H7ClN2/c1-5-2-6(4-10)3-7(9)8(5)11/h2-3H,11H2,1H3
- InChI Key
- NDTNVCCDQAOBSZ-UHFFFAOYSA-N
- Formula
- C8H7ClN2
- SMILES
- Cc1cc(C#N)cc(Cl)c1N
- Molecular Weight1
- 166.61
- CAS
- 158296-69-6
- 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° | 287.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 176.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.17 | kJ/mol | Joback Calculated Property |
| log10WS | -2.62 | Crippen Calculated Property | |
| logPoct/wat | 2.102 | Crippen Calculated Property | |
| McVol | 123.420 | ml/mol | McGowan Calculated Property |
| Pc | 3439.94 | kPa | Joback Calculated Property |
| Tboil | 636.10 | K | Joback Calculated Property |
| Tc | 882.91 | K | Joback Calculated Property |
| Tfus | 422.07 | K | Joback Calculated Property |
| Vc | 0.479 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [266.85; 310.77] | J/mol×K | [636.10; 882.91] | 
|
| Cp,gas | 266.85 | J/mol×K | 636.10 | Joback Calculated Property |
| Cp,gas | 275.59 | J/mol×K | 677.24 | Joback Calculated Property |
| Cp,gas | 283.74 | J/mol×K | 718.37 | Joback Calculated Property |
| Cp,gas | 291.31 | J/mol×K | 759.51 | Joback Calculated Property |
| Cp,gas | 298.32 | J/mol×K | 800.64 | Joback Calculated Property |
| Cp,gas | 304.81 | J/mol×K | 841.78 | Joback Calculated Property |
| Cp,gas | 310.77 | J/mol×K | 882.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Amino-3-chloro-5-methyl benzonitrile.
Sources
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