- 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
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 138.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 16.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.44 | kJ/mol | Joback Calculated Property |
| log10WS | -2.50 | Crippen Calculated Property | |
| logPoct/wat | 1.488 | Crippen Calculated Property | |
| McVol | 88.560 | ml/mol | McGowan Calculated Property |
| Tboil | 494.48 | K | Joback Calculated Property |
| Tfus | 426.00 ± 2.00 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [27.48; 184.66] | J/mol×K | [100.12; 494.48] | 
|
| Cp,gas | 27.48 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 27.48 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 27.48 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 27.48 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 27.48 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 27.48 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 184.66 | J/mol×K | 494.48 | Joback Calculated Property |
| 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 |
Similar Compounds
Find more compounds similar to cis 2-pentenoic acid amide.
Sources
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