- InChI
- InChI=1S/C9H8ClN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6H,3,5H2
- InChI Key
- MMTXIUJWFHJGBA-UHFFFAOYSA-N
- Formula
- C9H8ClN
- SMILES
- N#CCCc1ccccc1Cl
- Molecular Weight1
- 165.62
- CAS
- 7315-17-5
- Other Names
-
- Benzenepropanenitrile, 2-chloro-
- Hydrocinnamonitrile, o-chloro-
- 1-Cyano-2-(O-chlorophenyl)ethane
- 3-(2-Chlorophenyl)propanenitrile
- Propanenitrile, 3-(2-chlorophenyl)
- 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° | 248.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 145.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.43 | kJ/mol | Joback Calculated Property |
| log10WS | -3.24 | Crippen Calculated Property | |
| logPoct/wat | 2.796 | Crippen Calculated Property | |
| McVol | 127.530 | ml/mol | McGowan Calculated Property |
| Pc | 2992.59 | kPa | Joback Calculated Property |
| Inp | 1368.00 | NIST | |
| Tboil | 576.49 | K | Joback Calculated Property |
| Tc | 809.28 | K | Joback Calculated Property |
| Tfus | 325.04 | K | Joback Calculated Property |
| Vc | 0.506 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [266.26; 318.66] | J/mol×K | [576.49; 809.28] | 
|
| Cp,gas | 266.26 | J/mol×K | 576.49 | Joback Calculated Property |
| Cp,gas | 276.66 | J/mol×K | 615.29 | Joback Calculated Property |
| Cp,gas | 286.34 | J/mol×K | 654.09 | Joback Calculated Property |
| Cp,gas | 295.35 | J/mol×K | 692.89 | Joback Calculated Property |
| Cp,gas | 303.72 | J/mol×K | 731.68 | Joback Calculated Property |
| Cp,gas | 311.47 | J/mol×K | 770.48 | Joback Calculated Property |
| Cp,gas | 318.66 | J/mol×K | 809.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorohydrocinnamonitrile.
Sources
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