- InChI
- InChI=1S/C5H8ClN/c1-4(2)5(6)3-7/h4-5H,1-2H3
- InChI Key
- GMPPCOCINGLLFH-UHFFFAOYSA-N
- Formula
- C5H8ClN
- SMILES
- CC(C)C(Cl)C#N
- Molecular Weight1
- 117.58
- CAS
- 70477-21-3
- 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 | 0.3539 | Relay (... Calculated Property | |
| ΔfG° | 107.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -32.18 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 7.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.34 | kJ/mol | Relay (... Calculated Property |
| IE | 11.03 | eV | Relay (... Calculated Property |
| log10WS | -2.00 | Relay (... Calculated Property | |
| logPoct/wat | 1.773 | Crippen Calculated Property | |
| McVol | 94.930 | ml/mol | McGowan Calculated Property |
| Pc | 3287.81 | kPa | Joback Calculated Property |
| Tboil | 406.25 | K | Relay (... Calculated Property |
| Tc | 598.07 | K | Relay (... Calculated Property |
| Tfus | 256.55 | K | Relay (... Calculated Property |
| Vc | 0.346 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [175.11; 218.12] | J/mol×K | [452.43; 659.33] | 
|
| Cp,gas | 175.11 | J/mol×K | 452.43 | Joback Calculated Property |
| Cp,gas | 183.26 | J/mol×K | 486.91 | Joback Calculated Property |
| Cp,gas | 190.99 | J/mol×K | 521.40 | Joback Calculated Property |
| Cp,gas | 198.34 | J/mol×K | 555.88 | Joback Calculated Property |
| Cp,gas | 205.30 | J/mol×K | 590.36 | Joback Calculated Property |
| Cp,gas | 211.89 | J/mol×K | 624.85 | Joback Calculated Property |
| Cp,gas | 218.12 | J/mol×K | 659.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Chloroisovaleronitrile.
Sources
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