- InChI
- InChI=1S/C5H9NO/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H2,6,7)/b4-3-
- InChI Key
- MZDYAVCNKNXCIS-ARJAWSKDSA-N
- Formula
- C5H9NO
- SMILES
- CCC=CC(=N)O
- Molecular Weight1
- 99.13
- CAS
- 15856-96-9
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- 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 | 0.6446 | Relay (1.0) Calculated Property | |
| ΔfG° | 138.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -230.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 63.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.488 | Crippen Calculated Property | |
| McVol | 88.560 | ml/mol | McGowan Calculated Property |
| Pc | 4580.85 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 487.20 | K | Relay (1.0) Calculated Property |
| Tc | 677.89 | K | Relay (1.0) Calculated Property |
| Tfus | 426.00 ± 2.00 | K | NIST |
| Vc | 0.300 | 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 |
|---|---|---|---|---|
| ΔsubH | [57.90; 106.50] | kJ/mol | [328.00; 368.00] | 
|
| ΔsubH | 106.50 | kJ/mol | 328.00 | NIST |
| ΔsubH | 57.90 | kJ/mol | 368.00 | NIST |
| ΔvapH | 74.80 | kJ/mol | 363.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [109.98; 274.45] | 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 | -3.20490e+01 | |||
| Coefficient B | 6.41700e-01 | |||
| Coefficient C | -4.86000e-04 | |||
| Coefficient D | 1.50800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 109.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 140.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 167.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 190.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 209.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 226.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 240.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 253.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 264.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 274.45 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to cis 2-pentenoic acid amide.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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