- InChI
- InChI=1S/C6H11NO/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H2,7,8)/b5-4-
- InChI Key
- BZEUYEFVVDTLOD-PLNGDYQASA-N
- Formula
- C6H11NO
- SMILES
- CCCC=CC(N)=O
- Molecular Weight1
- 113.16
- CAS
- 820-99-5
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 17.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -128.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.30 | kJ/mol | Joback Calculated Property |
| log10WS | -1.40 | Crippen Calculated Property | |
| logPoct/wat | 0.828 | Crippen Calculated Property | |
| McVol | 102.650 | ml/mol | McGowan Calculated Property |
| Pc | 3801.00 | kPa | Joback Calculated Property |
| Tboil | 467.24 | K | Joback Calculated Property |
| Tc | 667.96 | K | Joback Calculated Property |
| Tfus | 285.49 | K | Joback Calculated Property |
| Vc | 0.387 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [211.82; 265.63] | J/mol×K | [467.24; 667.96] | 
|
| Cp,gas | 211.82 | J/mol×K | 467.24 | Joback Calculated Property |
| Cp,gas | 222.09 | J/mol×K | 500.69 | Joback Calculated Property |
| Cp,gas | 231.80 | J/mol×K | 534.15 | Joback Calculated Property |
| Cp,gas | 240.99 | J/mol×K | 567.60 | Joback Calculated Property |
| Cp,gas | 249.67 | J/mol×K | 601.06 | Joback Calculated Property |
| Cp,gas | 257.87 | J/mol×K | 634.51 | Joback Calculated Property |
| Cp,gas | 265.63 | J/mol×K | 667.96 | Joback Calculated Property |
| ΔsubH | 80.00 | kJ/mol | 328.00 | NIST |
| ΔvapH | 61.70 | kJ/mol | 363.00 | NIST |
Similar Compounds
Find more compounds similar to cis 2-Hexenoic acid amide.
Sources
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