- InChI
- InChI=1S/C9H6ClN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-6H/b5-3-
- InChI Key
- PWWUUGALKZGDSD-HYXAFXHYSA-N
- Formula
- C9H6ClN
- SMILES
- N#CC=Cc1ccccc1Cl
- Molecular Weight1
- 163.60
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 329.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 262.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.39 | kJ/mol | Joback Calculated Property |
| log10WS | -3.27 | Crippen Calculated Property | |
| logPoct/wat | 2.877 | Crippen Calculated Property | |
| McVol | 123.230 | ml/mol | McGowan Calculated Property |
| Pc | 3170.40 | kPa | Joback Calculated Property |
| Inp | 1355.00 | NIST | |
| Tboil | 580.65 | K | Joback Calculated Property |
| Tc | 824.26 | K | Joback Calculated Property |
| Tfus | 319.96 | K | Joback Calculated Property |
| Vc | 0.486 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.87; 293.20] | J/mol×K | [580.65; 824.26] | 
|
| Cp,gas | 245.87 | J/mol×K | 580.65 | Joback Calculated Property |
| Cp,gas | 255.46 | J/mol×K | 621.25 | Joback Calculated Property |
| Cp,gas | 264.29 | J/mol×K | 661.85 | Joback Calculated Property |
| Cp,gas | 272.42 | J/mol×K | 702.46 | Joback Calculated Property |
| Cp,gas | 279.91 | J/mol×K | 743.06 | Joback Calculated Property |
| Cp,gas | 286.82 | J/mol×K | 783.66 | Joback Calculated Property |
| Cp,gas | 293.20 | J/mol×K | 824.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cinnamonitrile, 2-chloro, cis.
Sources
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