- InChI
- InChI=1S/C7H13NO/c1-4-5-7(9)8-6(2)3/h4-6H,1-3H3,(H,8,9)/b5-4+
- InChI Key
- PMYOYDPRILKMKB-SNAWJCMRSA-N
- Formula
- C7H13NO
- SMILES
- CC=CC(=O)NC(C)C
- Molecular Weight1
- 127.18
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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° | 46.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -134.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.93 | kJ/mol | Joback Calculated Property |
| log10WS | -1.68 | Crippen Calculated Property | |
| logPoct/wat | 1.087 | Crippen Calculated Property | |
| McVol | 116.740 | ml/mol | McGowan Calculated Property |
| Pc | 3250.43 | kPa | Joback Calculated Property |
| Inp | [1067.00; 1067.00] |
|
|
| Inp | 1067.00 | NIST | |
| Inp | 1067.00 | NIST | |
| Tboil | 467.32 | K | Joback Calculated Property |
| Tc | 660.45 | K | Joback Calculated Property |
| Tfus | 251.16 | K | Joback Calculated Property |
| Vc | 0.443 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.81; 305.49] | J/mol×K | [467.32; 660.45] |
|
| Cp,gas | 242.81 | J/mol×K | 467.32 | Joback Calculated Property |
| Cp,gas | 254.70 | J/mol×K | 499.51 | Joback Calculated Property |
| Cp,gas | 265.97 | J/mol×K | 531.70 | Joback Calculated Property |
| Cp,gas | 276.67 | J/mol×K | 563.89 | Joback Calculated Property |
| Cp,gas | 286.80 | J/mol×K | 596.07 | Joback Calculated Property |
| Cp,gas | 296.40 | J/mol×K | 628.26 | Joback Calculated Property |
| Cp,gas | 305.49 | J/mol×K | 660.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-N-Isopropyl-2-butenamide.
Sources
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