- InChI
- InChI=1S/C3H2N2/c4-2-1-3-5/h1H2
- InChI Key
- CUONGYYJJVDODC-UHFFFAOYSA-N
- Formula
- C3H2N2
- SMILES
- N#CCC#N
- Molecular Weight1
- 66.06
- CAS
- 109-77-3
- Other Names
-
- CH2(CN)2
- Dwumetylosulfotlenku
- Malonic acid dinitrile
- Malonic dinitrile
- Malonitrile
- Malonodinitrile
- Methane, dicyano-
- Methylene cyanide
- NSC 3769
- Nitril kyseliny malonove
- Rcra waste number U149
- UN 2647
- USAF A-4600
- USAF KF-19
- cyanoacetonitrile
- dicyanomethane
- malononitrile
- methylenedinitrile
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 0.4679 | Relay (1.0) Calculated Property | |
| PAff | 723.00 | kJ/mol | NIST |
| BasG | 694.10 | kJ/mol | NIST |
| ΔcH°solid | [-1654.20; -1653.00] | kJ/mol |
|
| ΔcH°solid | -1654.20 ± 0.20 | kJ/mol | NIST |
| ΔcH°solid | -1653.00 ± 1.00 | kJ/mol | NIST |
| ΔfG° | 240.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [266.00; 266.30] | kJ/mol |
|
| ΔfH°gas | 266.30 ± 1.00 | kJ/mol | NIST |
| ΔfH°gas | 266.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°solid | [186.00; 187.90] | kJ/mol |
|
| ΔfH°solid | 187.90 ± 0.20 | kJ/mol | NIST |
| ΔfH°solid | 186.00 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 10.70 | kJ/mol | Fusion and solid-to-solid transitions of a homologous series of alkane-a,w-dinitriles |
| ΔsubH° | [78.20; 80.00] | kJ/mol |
|
| ΔsubH° | 78.37 ± 0.96 | kJ/mol | NIST |
| ΔsubH° | 78.40 | kJ/mol | NIST |
| ΔsubH° | 78.20 ± 1.00 | kJ/mol | NIST |
| ΔsubH° | 79.10 ± 0.80 | kJ/mol | NIST |
| ΔsubH° | 80.00 | kJ/mol | NIST |
| ΔvapH° | 49.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [12.70; 12.88] | eV |
|
| IE | 12.80 ± 0.10 | eV | NIST |
| IE | 12.70 | eV | NIST |
| IE | 12.88 | eV | NIST |
| log10WS | 0.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.424 | Crippen Calculated Property | |
| McVol | 55.890 | ml/mol | McGowan Calculated Property |
| Pc | 4130.29 | kPa | Joback Calculated Property |
| Inp | 801.00 | NIST | |
| S°solid,1 bar | 130.96 | J/mol×K | NIST |
| Tboil | [491.70; 493.20] | K |
|
| Tboil | 493.20 | K | NIST |
| Tboil | 491.70 | K | NIST |
| Tc | 588.31 | K | Relay (1.0) Calculated Property |
| Tfus | [304.00; 307.60] | K |
|
| Tfus | 304.80 | K | KDB |
| Tfus | 305.00 ± 2.00 | K | NIST |
| Tfus | 304.00 ± 3.00 | K | NIST |
| Tfus | 307.60 ± 0.60 | K | NIST |
| Tfus | 304.65 ± 1.50 | K | NIST |
| Ttriple | [304.91; 304.99] | K |
|
| Ttriple | 304.91 ± 0.06 | K | NIST |
| Ttriple | 304.98 ± 0.02 | K | NIST |
| Ttriple | 304.99 ± 0.02 | K | NIST |
| Ttriple | 304.91 ± 0.06 | K | NIST |
| Ttriple | 304.98 ± 0.02 | K | NIST |
| Vc | 0.238 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 110.29 | J/mol×K | 298.15 | NIST |
| ΔfusH | [10.70; 10.80] | kJ/mol | [305.00; 305.00] |
|
| ΔfusH | 10.70 | kJ/mol | 305.00 | NIST |
| ΔfusH | 10.80 | kJ/mol | 305.00 | NIST |
| ΔfusH | 10.80 | kJ/mol | 305.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 382.20 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [71.88; 127.06] | 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 | 3.41610e+01 | |||
| Coefficient B | 1.58400e-01 | |||
| Coefficient C | -7.74000e-05 | |||
| Coefficient D | 1.19000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 71.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 81.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 89.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 96.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 103.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 109.61 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 114.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 119.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 123.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 127.06 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [363.09; 523.97] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.58259e+01 | |||
| Coefficient B | -5.23199e+03 | |||
| Coefficient C | -2.63730e+01 | |||
| Temperature range, min. | 363.09 | |||
| Temperature range, max. | 523.97 | |||
| Pvap | 1.33 | kPa | 363.09 | Calculated Property |
| Pvap | 2.92 | kPa | 380.97 | Calculated Property |
| Pvap | 5.92 | kPa | 398.84 | Calculated Property |
| Pvap | 11.27 | kPa | 416.72 | Calculated Property |
| Pvap | 20.27 | kPa | 434.59 | Calculated Property |
| Pvap | 34.71 | kPa | 452.47 | Calculated Property |
| Pvap | 56.90 | kPa | 470.34 | Calculated Property |
| Pvap | 89.79 | kPa | 488.22 | Calculated Property |
| Pvap | 136.94 | kPa | 506.09 | Calculated Property |
| Pvap | 202.63 | kPa | 523.97 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanedinitrile.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Fusion and solid-to-solid transitions of a homologous series of alkane-a,w-dinitriles
- Liquid-Liquid Equilibria in Binary Mixtures of Water with Malonitrile, Succinonitrile, and Glutaronitrile
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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