- 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
- Other Names
-
- 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 (1.0) Calculated Property | |
| ΔfG° | 93.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 9.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.55 | Relay (1.0) 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 | 563.62 | K | Relay (1.0) Calculated Property |
| Tfus | 231.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.259 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [83.59; 159.39] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.83700e+01 | |||
| Coefficient B | 2.36320e-01 | |||
| Coefficient C | -1.32000e-04 | |||
| Coefficient D | 2.67000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 83.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 96.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 108.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 118.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 127.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 136.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 143.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 149.45 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 154.80 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 159.39 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-CHLOROPROPIONITRILE.
Sources
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