- InChI
- InChI=1S/C5H9NO/c1-5(3-6)4-7-2/h5H,4H2,1-2H3
- InChI Key
- ZGQCHFHNSDAMCY-UHFFFAOYSA-N
- Formula
- C5H9NO
- SMILES
- COCC(C)C#N
- Molecular Weight1
- 99.13
- 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° | 16.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -119.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.22 | kJ/mol | Joback Calculated Property |
| log10WS | -0.63 | Crippen Calculated Property | |
| logPoct/wat | 0.792 | Crippen Calculated Property | |
| McVol | 88.560 | ml/mol | McGowan Calculated Property |
| Pc | 3333.53 | kPa | Joback Calculated Property |
| Inp | 802.00 | NIST | |
| Tboil | 437.86 | K | Joback Calculated Property |
| Tc | 632.31 | K | Joback Calculated Property |
| Tfus | 218.33 | K | Joback Calculated Property |
| Vc | 0.353 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [173.10; 217.38] | J/mol×K | [437.86; 632.31] | 
|
| Cp,gas | 173.10 | J/mol×K | 437.86 | Joback Calculated Property |
| Cp,gas | 181.16 | J/mol×K | 470.27 | Joback Calculated Property |
| Cp,gas | 188.95 | J/mol×K | 502.68 | Joback Calculated Property |
| Cp,gas | 196.47 | J/mol×K | 535.08 | Joback Calculated Property |
| Cp,gas | 203.72 | J/mol×K | 567.49 | Joback Calculated Property |
| Cp,gas | 210.69 | J/mol×K | 599.90 | Joback Calculated Property |
| Cp,gas | 217.38 | J/mol×K | 632.31 | Joback Calculated Property |
Similar Compounds
![Propane, 1,1'-[methylenebis(oxy)]bis[2-methyl-.](data:image/png;base64,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)
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