- InChI
- InChI=1S/C9H4ClN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6H
- InChI Key
- LVYSCYKCGCKDLQ-UHFFFAOYSA-N
- Formula
- C9H4ClN
- SMILES
- N#CC#Cc1ccccc1Cl
- Molecular Weight1
- 161.59
- 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 | 0.2950 | Relay (1.0) Calculated Property | |
| ΔfG° | 451.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 443.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.215 | Crippen Calculated Property | |
| McVol | 118.930 | ml/mol | McGowan Calculated Property |
| Pc | 3594.25 | kPa | Joback Calculated Property |
| Inp | 1338.00 | NIST | |
| Tboil | 473.86 | K | Relay (1.0) Calculated Property |
| Tc | 734.07 | K | Relay (1.0) Calculated Property |
| Tfus | 337.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.417 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.96; 269.43] | J/mol×K | [585.49; 849.33] | 
|
| Cp,gas | 225.96 | J/mol×K | 585.49 | Joback Calculated Property |
| Cp,gas | 234.81 | J/mol×K | 629.46 | Joback Calculated Property |
| Cp,gas | 242.96 | J/mol×K | 673.44 | Joback Calculated Property |
| Cp,gas | 250.46 | J/mol×K | 717.41 | Joback Calculated Property |
| Cp,gas | 257.35 | J/mol×K | 761.38 | Joback Calculated Property |
| Cp,gas | 263.66 | J/mol×K | 805.35 | Joback Calculated Property |
| Cp,gas | 269.43 | J/mol×K | 849.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propynenitrile, 3-(2-chlorophenyl).
Sources
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