- InChI
- InChI=1S/C5H6N2/c1-5(2,3-6)4-7/h1-2H3
- InChI Key
- BCMJJXWXMZYZKN-UHFFFAOYSA-N
- Formula
- C5H6N2
- SMILES
- CC(C)(C#N)C#N
- Molecular Weight1
- 94.11
- CAS
- 7321-55-3
- Other Names
-
- 2,2-Dicyanopropane
- Dimethylmalononitrile
- Malononitrile, dimethyl-
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -2960.20 ± 0.71 | kJ/mol | NIST |
| ΔfH°gas | 197.20 ± 1.00 | kJ/mol | NIST |
| ΔfH°solid | 135.20 ± 0.20 | kJ/mol | NIST |
| ΔfusH° | 4.30 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [61.97; 62.00] | kJ/mol |
|
| ΔsubH° | 61.97 ± 0.71 | kJ/mol | NIST |
| ΔsubH° | 62.00 | kJ/mol | NIST |
| ΔsubH° | 62.00 ± 0.70 | kJ/mol | NIST |
| ΔvapH° | 44.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 12.39 | eV | NIST |
| logPoct/wat | 1.060 | Crippen Calculated Property | |
| McVol | 84.070 | ml/mol | McGowan Calculated Property |
| Tboil | 442.70 | K | NIST |
| Tfus | 304.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Ttriple | 307.47 ± 0.02 | K | NIST |
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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [4.05; 9.87] | kJ/mol | [302.60; 307.50] |
|
| ΔfusH | 9.87 | kJ/mol | 302.60 | NIST |
| ΔfusH | 4.05 | kJ/mol | 307.50 | NIST |
| ΔfusH | 4.05 | kJ/mol | 307.50 | NIST |
| ΔvapH | 47.50 | kJ/mol | 367.50 | NIST |
| ΔfusS | [13.18; 32.59] | J/mol×K | [302.60; 307.50] |
|
| ΔfusS | 32.59 | J/mol×K | 302.60 | NIST |
| ΔfusS | 13.18 | J/mol×K | 307.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [112.85; 231.71] | 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 | 7.87000e+00 | |||
| Coefficient B | 4.74240e-01 | |||
| Coefficient C | -3.58000e-04 | |||
| Coefficient D | 1.07600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 112.85 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 135.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 155.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 171.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 186.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 198.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 208.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 217.25 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 224.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 231.71 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanedinitrile, dimethyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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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