- 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).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point 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 | 217.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 12.62 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.670 | Crippen Calculated Property | |
| McVol | 69.980 | ml/mol | McGowan Calculated Property |
| Tboil | 446.96 | K | Relay (1.0) Calculated Property |
| Tfus | 290.59 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [92.78; 179.19] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.15700e+01 | |||
| Coefficient B | 2.59320e-01 | |||
| Coefficient C | -1.35000e-04 | |||
| Coefficient D | 2.33000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 92.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 107.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 120.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 132.54 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 143.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 152.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 160.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 167.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 173.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 179.19 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1-Dicyanoethane.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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