- InChI
- InChI=1S/C6H6N2O/c1-2-9-5-6(3-7)4-8/h5H,2H2,1H3
- InChI Key
- OEICGMPRFOJHKO-UHFFFAOYSA-N
- Formula
- C6H6N2O
- SMILES
- CCOC=C(C#N)C#N
- Molecular Weight1
- 122.12
- CAS
- 123-06-8
- Other Names
-
- «alpha»-Cyano-«beta»-ethoxyacrylonitrile
- 2-Cyano-3-ethoxyacrylonitrile
- (Ethoxymethylene)malononitrile
- («beta»-Ethoxymethylene)malononitrile
- Malononitrile, (ethoxymethylene)-
- Ethoxymethylene malonitrile
- Ethoxymethylene-malonic acid dinitrile
- (Ethoxymethylene)propanedinitrile
- USAF A-9230
- USAF KF-10
- (beta-Ethoxymethylene)malononitrile
- alpha-Cyano-beta-ethoxyacrylonitrile
- 1,1-Dicyano-2-ethoxyethene
- 1-Ethoxy-2,2-dicyanoethene
- 2-Ethoxy-1,1-ethenedicarbonitrile
- NSC 27792
- Propanedinitrile, 2-(ethoxymethylene)-
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4579 | Relay (1.0) Calculated Property | |
| ΔfG° | 232.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 178.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.954 | Crippen Calculated Property | |
| McVol | 99.730 | ml/mol | McGowan Calculated Property |
| Pc | 3072.75 | kPa | Joback Calculated Property |
| Tboil | 459.70 | K | Relay (1.0) Calculated Property |
| Tc | 620.88 | K | Relay (1.0) Calculated Property |
| Tfus | 286.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.366 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.30; 244.75] | J/mol×K | [567.30; 786.40] | 
|
| Cp,gas | 208.30 | J/mol×K | 567.30 | Joback Calculated Property |
| Cp,gas | 215.26 | J/mol×K | 603.82 | Joback Calculated Property |
| Cp,gas | 221.86 | J/mol×K | 640.33 | Joback Calculated Property |
| Cp,gas | 228.09 | J/mol×K | 676.85 | Joback Calculated Property |
| Cp,gas | 233.97 | J/mol×K | 713.37 | Joback Calculated Property |
| Cp,gas | 239.52 | J/mol×K | 749.88 | Joback Calculated Property |
| Cp,gas | 244.75 | J/mol×K | 786.40 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 433.20 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to Propanedinitrile, (ethoxymethylene)-.
Sources
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