- InChI
- InChI=1S/C4H9N/c1-2-3-4-5/h2-3H,4-5H2,1H3
- InChI Key
- QFUSOYKIDBRREL-NSCUHMNNSA-N
- Formula
- C4H5N
- SMILES
- CC=CCN
- Molecular Weight1
- 67.09
- CAS
- 1190-76-7
- Other Names
-
- (E)-2-BUTENENITRILE
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor 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 | 0.3257 | Relay (1.0) Calculated Property | |
| ΔfG° | 129.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 12.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.521 | Crippen Calculated Property | |
| McVol | 72.900 | ml/mol | McGowan Calculated Property |
| Pc | 4486.22 | kPa | Joback Calculated Property |
| Tboil | 380.62 | K | KDB |
| Tc | 543.59 | K | Relay (1.0) Calculated Property |
| Tfus | 192.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.250 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [124.09; 168.21] | J/mol×K | [367.61; 559.28] | 
|
| Cp,gas | 124.09 | J/mol×K | 367.61 | Joback Calculated Property |
| Cp,gas | 132.44 | J/mol×K | 399.56 | Joback Calculated Property |
| Cp,gas | 140.37 | J/mol×K | 431.50 | Joback Calculated Property |
| Cp,gas | 147.89 | J/mol×K | 463.45 | Joback Calculated Property |
| Cp,gas | 155.02 | J/mol×K | 495.39 | Joback Calculated Property |
| Cp,gas | 161.79 | J/mol×K | 527.34 | Joback Calculated Property |
| Cp,gas | 168.21 | J/mol×K | 559.28 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [277.15; 407.53] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50385e+01 | |||
| Coefficient B | -3.72380e+03 | |||
| Coefficient C | -2.47040e+01 | |||
| Temperature range, min. | 277.15 | |||
| Temperature range, max. | 407.53 | |||
| Pvap | 1.33 | kPa | 277.15 | Calculated Property |
| Pvap | 2.97 | kPa | 291.64 | Calculated Property |
| Pvap | 6.09 | kPa | 306.12 | Calculated Property |
| Pvap | 11.64 | kPa | 320.61 | Calculated Property |
| Pvap | 20.94 | kPa | 335.10 | Calculated Property |
| Pvap | 35.75 | kPa | 349.58 | Calculated Property |
| Pvap | 58.31 | kPa | 364.07 | Calculated Property |
| Pvap | 91.37 | kPa | 378.56 | Calculated Property |
| Pvap | 138.22 | kPa | 393.04 | Calculated Property |
| Pvap | 202.63 | kPa | 407.53 | Calculated Property |
Similar Compounds
Find more compounds similar to CIS-CROTONITRILE.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- The Yaws Handbook of Vapor Pressure
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