- InChI
- InChI=1S/C6H6N2/c1-6(5-8)3-2-4-7/h1-3H2
- InChI Key
- NGCJVMZXRCLPRQ-UHFFFAOYSA-N
- Formula
- C6H6N2
- SMILES
- C=C(C#N)CCC#N
- Molecular Weight1
- 106.13
- CAS
- 1572-52-7
- Other Names
-
- Methylene glutaronitrile
- 2-Methyleneglutaronitrile
- 2,4-Dicyanobutene-1
- Glutaronitrile, 2-methylene-
- «alpha»-Methyleneglutaronitrile
- 2,4-Dicyano-1-butene
- «alpha»-Methyleneglutarodinitrile
- 2-Methyleneglutarodinitrile
- 2-Methylenepentanedinitrile
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4632 | Relay (... Calculated Property | |
| ΔfG° | 345.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 309.24 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 11.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.61 | kJ/mol | Relay (... Calculated Property |
| IE | 10.85 | eV | Relay (... Calculated Property |
| log10WS | -1.04 | Relay (... Calculated Property | |
| logPoct/wat | 1.370 | Crippen Calculated Property | |
| McVol | 93.860 | ml/mol | McGowan Calculated Property |
| Pc | 3096.73 | kPa | Joback Calculated Property |
| Inp | [1023.00; 1023.00] |
|
|
| Inp | 1023.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Tboil | 376.20 | K | NIST |
| Tc | 682.07 | K | Relay (... Calculated Property |
| Tfus | 294.07 | K | Relay (... Calculated Property |
| Vc | 0.352 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.84; 225.43] | J/mol×K | [537.40; 753.93] |
|
| Cp,gas | 189.84 | J/mol×K | 537.40 | Joback Calculated Property |
| Cp,gas | 196.69 | J/mol×K | 573.49 | Joback Calculated Property |
| Cp,gas | 203.15 | J/mol×K | 609.58 | Joback Calculated Property |
| Cp,gas | 209.23 | J/mol×K | 645.66 | Joback Calculated Property |
| Cp,gas | 214.96 | J/mol×K | 681.75 | Joback Calculated Property |
| Cp,gas | 220.36 | J/mol×K | 717.84 | Joback Calculated Property |
| Cp,gas | 225.43 | J/mol×K | 753.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanedinitrile, 2-methylene-.
Sources
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