- InChI
- InChI=1S/C5H7N/c1-5(2)3-4-6/h1,3H2,2H3
- InChI Key
- OIQDAVBXDLGCID-UHFFFAOYSA-N
- Formula
- C5H7N
- SMILES
- C=C(C)CC#N
- Molecular Weight1
- 81.12
- CAS
- 4786-19-0
- Other Names
-
- 3-Butenenitrile, 3-methyl-
- 3-Methyl-3-butenenitrile
- 3-Methyl-3-butenonitrile
- Methallylkyanid
- 3-Methyl-3-butennitril
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.3473 | Relay (1.0) Calculated Property | |
| ΔfG° | 203.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 125.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.476 | Crippen Calculated Property | |
| McVol | 78.390 | ml/mol | McGowan Calculated Property |
| Pc | 3560.02 | kPa | Joback Calculated Property |
| Tboil | 415.22 | K | Relay (1.0) Calculated Property |
| Tc | 579.80 | K | Relay (1.0) Calculated Property |
| Tfus | 202.90 ± 0.60 | K | NIST |
| Vc | 0.287 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.02; 176.61] | J/mol×K | [412.44; 611.25] | 
|
| Cp,gas | 138.02 | J/mol×K | 412.44 | Joback Calculated Property |
| Cp,gas | 145.29 | J/mol×K | 445.57 | Joback Calculated Property |
| Cp,gas | 152.21 | J/mol×K | 478.71 | Joback Calculated Property |
| Cp,gas | 158.78 | J/mol×K | 511.84 | Joback Calculated Property |
| Cp,gas | 165.03 | J/mol×K | 544.98 | Joback Calculated Property |
| Cp,gas | 170.97 | J/mol×K | 578.11 | Joback Calculated Property |
| Cp,gas | 176.61 | J/mol×K | 611.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methallyl cyanide.
Sources
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