- InChI
- InChI=1S/C5H3NO/c6-4-5-2-1-3-7-5/h1-3H
- InChI Key
- YXDXXGXWFJCXEB-UHFFFAOYSA-N
- Formula
- C5H3NO
- SMILES
- N#Cc1ccco1
- Molecular Weight1
- 93.08
- CAS
- 617-90-3
- Other Names
-
- 2-Furonitrile
- «alpha»-Furyl cyanide
- 2-Cyanofuran
- 2-Furyl cyanide
- Furan-2-carbonitrile
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- 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 | 0.3559 | Relay (1.0) Calculated Property | |
| ΔfG° | 160.55 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 113.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 44.80 ± 0.40 | kJ/mol | NIST |
| IE | [9.45; 9.77] | eV |
|
| IE | 9.45 | eV | NIST |
| IE | 9.77 ± 0.05 | eV | NIST |
| IE | 9.47 ± 0.05 | eV | NIST |
| log10WS | -0.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.151 | Crippen Calculated Property | |
| McVol | 69.100 | ml/mol | McGowan Calculated Property |
| Pc | 4717.52 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [776.00; 822.00] |
|
|
| Inp | 822.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 776.00 | NIST | |
| Tboil | 420.20 | K | NIST |
| Tc | 652.00 | K | Relay (1.0) Calculated Property |
| Tfus | 273.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.269 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 419.20 | K | 98.40 | NIST |
Similar Compounds
Find more compounds similar to 2-Furancarbonitrile.
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
- McGowan Method
- NIST Webbook
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