- InChI
- InChI=1S/C5H7N/c1-5(2)3-4-6/h3H,1-2H3
- InChI Key
- AUGKLUNRHYPDAM-UHFFFAOYSA-N
- Formula
- C5H7N
- SMILES
- CC(C)=CC#N
- Molecular Weight1
- 81.12
- CAS
- 4786-24-7
- Other Names
-
- Senecionitrile
- 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° | 196.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 125.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.24 | kJ/mol | Joback Calculated Property |
| log10WS | -1.64 | Crippen Calculated Property | |
| logPoct/wat | 1.476 | Crippen Calculated Property | |
| McVol | 78.390 | ml/mol | McGowan Calculated Property |
| Pc | 3602.88 | kPa | Joback Calculated Property |
| Inp | [770.00; 770.00] |
|
|
| Inp | 770.00 | NIST | |
| Inp | 770.00 | NIST | |
| Tboil | 419.92 | K | Joback Calculated Property |
| Tc | 624.57 | K | Joback Calculated Property |
| Tfus | 192.06 | K | Joback Calculated Property |
| Vc | 0.323 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [136.79; 176.15] | J/mol×K | [419.92; 624.57] |
|
| Cp,gas | 136.79 | J/mol×K | 419.92 | Joback Calculated Property |
| Cp,gas | 144.32 | J/mol×K | 454.03 | Joback Calculated Property |
| Cp,gas | 151.44 | J/mol×K | 488.14 | Joback Calculated Property |
| Cp,gas | 158.15 | J/mol×K | 522.25 | Joback Calculated Property |
| Cp,gas | 164.50 | J/mol×K | 556.36 | Joback Calculated Property |
| Cp,gas | 170.49 | J/mol×K | 590.47 | Joback Calculated Property |
| Cp,gas | 176.15 | J/mol×K | 624.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-methyl-2-butenenitrile.
Sources
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