- InChI
- InChI=1S/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H
- InChI Key
- JJNZXLAFIPKXIG-UHFFFAOYSA-N
- Formula
- C10H5ClN2
- SMILES
- N#CC(C#N)=Cc1ccccc1Cl
- Molecular Weight1
- 188.61
- CAS
- 2698-41-1
- Other Names
-
- CS
- Propanedinitrile, [(2-chlorophenyl)methylene]-
- Malononitrile, (o-chlorobenzylidene)-
- «beta»,«beta»-Dicyano-o-chlorostyrene
- (o-Chlorobenzal)malononitrile
- (o-Chlorobenzylidene)malononitrile
- 2-Chlorobenzylidenemalononitrile
- (o-Chlorobenzylidene)malonitrile
- o-Chlorobenzylidenemalonic nitrile
- NCI-C55118
- USAF KF-11
- 2-Chloro BMN
- beta,bbeta-Dicyano-o-chlorostyrene
- 2-Chlorobenzylidenemaloninitrile
- CS (lacrimator)
- NSC 542
- Propanedinitrile, 2-[(2-chlorophenyl)methylene]-
- 2-Chlorobenzylmalonodinitrile
- [(2-chlorophenyl)methylene]malononitrile
- 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 | 0.4776 | Relay (1.0) Calculated Property | |
| ΔfG° | 462.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 434.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.771 | Crippen Calculated Property | |
| McVol | 138.700 | ml/mol | McGowan Calculated Property |
| Pc | 2793.56 | kPa | Joback Calculated Property |
| Inp | [1516.00; 1564.00] |
|
|
| Inp | 1516.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1561.60 | NIST | |
| Inp | 1562.09 | NIST | |
| Inp | 1562.09 | NIST | |
| Inp | 1554.28 | NIST | |
| Inp | 1554.40 | NIST | |
| Inp | 1555.10 | NIST | |
| Inp | 1555.00 | NIST | |
| Inp | 1516.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1554.40 | NIST | |
| Inp | 1516.00 | NIST | |
| Tboil | 542.62 | K | Relay (1.0) Calculated Property |
| Tc | 803.08 | K | Relay (1.0) Calculated Property |
| Tfus | 333.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.485 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [300.16; 339.35] | J/mol×K | [705.49; 960.44] |
|
| Cp,gas | 300.16 | J/mol×K | 705.49 | Joback Calculated Property |
| Cp,gas | 308.11 | J/mol×K | 747.98 | Joback Calculated Property |
| Cp,gas | 315.40 | J/mol×K | 790.47 | Joback Calculated Property |
| Cp,gas | 322.09 | J/mol×K | 832.96 | Joback Calculated Property |
| Cp,gas | 328.27 | J/mol×K | 875.45 | Joback Calculated Property |
| Cp,gas | 334.00 | J/mol×K | 917.94 | Joback Calculated Property |
| Cp,gas | 339.35 | J/mol×K | 960.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorobenzalmalononitrile.
Sources
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