- InChI
- InChI=1S/C4H4N2/c1-4(2-5)3-6/h4H,1H3
- InChI Key
- LXUTYOVUICAOGH-UHFFFAOYSA-N
- Formula
- C4H4N2
- SMILES
- CC(C#N)C#N
- Molecular Weight1
- 80.09
- CAS
- 3696-36-4
- Other Names
-
- Malononitrile, methyl-
- Propanedinitrile, methyl-
- Methylmalononitrile
- Methyl-malonitril
- Methylpropanedinitrile
- 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).
- 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° | 246.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 198.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 5.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.07 | kJ/mol | Joback Calculated Property |
| log10WS | -0.99 | Crippen Calculated Property | |
| logPoct/wat | 0.670 | Crippen Calculated Property | |
| McVol | 69.980 | ml/mol | McGowan Calculated Property |
| Pc | 3699.95 | kPa | Joback Calculated Property |
| Tboil | 494.64 | K | Joback Calculated Property |
| Tc | 714.45 | K | Joback Calculated Property |
| Tfus | 249.82 | K | Joback Calculated Property |
| Vc | 0.305 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [129.63; 156.43] | J/mol×K | [494.64; 714.45] | 
|
| Cp,gas | 129.63 | J/mol×K | 494.64 | Joback Calculated Property |
| Cp,gas | 134.73 | J/mol×K | 531.27 | Joback Calculated Property |
| Cp,gas | 139.57 | J/mol×K | 567.91 | Joback Calculated Property |
| Cp,gas | 144.15 | J/mol×K | 604.54 | Joback Calculated Property |
| Cp,gas | 148.48 | J/mol×K | 641.18 | Joback Calculated Property |
| Cp,gas | 152.57 | J/mol×K | 677.81 | Joback Calculated Property |
| Cp,gas | 156.43 | J/mol×K | 714.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1-Dicyanoethane.
Sources
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