- InChI
- InChI=1S/C3H4ClN/c1-3(4)2-5/h3H,1H3
- InChI Key
- JNAYPRPPXRWGQO-UHFFFAOYSA-N
- Formula
- C3H4ClN
- SMILES
- CC(Cl)C#N
- Molecular Weight1
- 89.52
- CAS
- 1617-17-0
- Other Names
-
- 2-Chloropropionitrile
- Propanenitrile, 2-chloro-
- 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 | 0.3259 | Relay (... Calculated Property | |
| ΔfG° | 93.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 9.51 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 5.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.28 | kJ/mol | Relay (... Calculated Property |
| IE | 11.75 | eV | Relay (... Calculated Property |
| log10WS | -0.55 | Relay (... Calculated Property | |
| logPoct/wat | 1.137 | Crippen Calculated Property | |
| McVol | 66.750 | ml/mol | McGowan Calculated Property |
| Pc | 4109.14 | kPa | Joback Calculated Property |
| Tboil | [394.20; 396.70] | K |
|
| Tboil | 394.20 | K | NIST |
| Tboil | 396.70 | K | NIST |
| Tc | 551.90 | K | Relay (... Calculated Property |
| Tfus | 236.96 | K | Relay (... Calculated Property |
| Vc | 0.254 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [104.50; 129.87] | J/mol×K | [407.11; 613.84] |
|
| Cp,gas | 104.50 | J/mol×K | 407.11 | Joback Calculated Property |
| Cp,gas | 109.28 | J/mol×K | 441.56 | Joback Calculated Property |
| Cp,gas | 113.83 | J/mol×K | 476.02 | Joback Calculated Property |
| Cp,gas | 118.16 | J/mol×K | 510.47 | Joback Calculated Property |
| Cp,gas | 122.27 | J/mol×K | 544.93 | Joback Calculated Property |
| Cp,gas | 126.17 | J/mol×K | 579.38 | Joback Calculated Property |
| Cp,gas | 129.87 | J/mol×K | 613.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to CH3CHClCN.
Sources
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