- InChI
- InChI=1S/C4H6ClN/c1-4(2-5)3-6/h4H,2H2,1H3
- InChI Key
- XXZVBSPSFVERCB-UHFFFAOYSA-N
- Formula
- C4H6ClN
- SMILES
- CC(C#N)CCl
- Molecular Weight1
- 103.55
- CAS
- 7659-45-2
- 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).
- 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 | 0.3695 | Relay (... Calculated Property | |
| ΔfG° | 101.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -16.69 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 8.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.76 | kJ/mol | Relay (... Calculated Property |
| IE | 11.42 | eV | Relay (... Calculated Property |
| log10WS | -0.96 | Relay (... Calculated Property | |
| logPoct/wat | 1.385 | Crippen Calculated Property | |
| McVol | 80.840 | ml/mol | McGowan Calculated Property |
| Pc | 3646.53 | kPa | Joback Calculated Property |
| Tboil | 431.09 | K | Relay (... Calculated Property |
| Tc | 612.36 | K | Relay (... Calculated Property |
| Tfus | 237.82 | K | Relay (... Calculated Property |
| Vc | 0.293 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.53; 172.50] | J/mol×K | [429.99; 634.51] | 
|
| Cp,gas | 138.53 | J/mol×K | 429.99 | Joback Calculated Property |
| Cp,gas | 144.93 | J/mol×K | 464.08 | Joback Calculated Property |
| Cp,gas | 151.03 | J/mol×K | 498.16 | Joback Calculated Property |
| Cp,gas | 156.82 | J/mol×K | 532.25 | Joback Calculated Property |
| Cp,gas | 162.33 | J/mol×K | 566.33 | Joback Calculated Property |
| Cp,gas | 167.55 | J/mol×K | 600.42 | Joback Calculated Property |
| Cp,gas | 172.50 | J/mol×K | 634.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-methylpropionitrile.
Sources
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