- 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).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -96.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.24 | kJ/mol | Relay (1.0) 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 | 428.41 | K | Relay (1.0) Calculated Property |
| Tc | 583.99 | K | Relay (1.0) Calculated Property |
| Tfus | 208.09 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
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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)
Find more compounds similar to Propanenitrile, 2-methyl-3-methoxy.
Sources
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