- InChI
- InChI=1S/C2H3NO/c3-1-2-4/h4H,2H2
- InChI Key
- LTYRAPJYLUPLCI-UHFFFAOYSA-N
- Formula
- C2H3NO
- SMILES
- N#CCO
- Molecular Weight1
- 57.05
- CAS
- 107-16-4
- Other Names
-
- Glycolonitrile
- Cyanomethanol
- Formaldehyde cyanohydrin
- Glycolic nitrile
- Glyconitrile
- Hydroxyacetonitrile
- Hydroxyactonitrile
- Hydroxymethylnitrile
- 2-Hydroxyacetonitrile
- HOCH2CN
- USAF A-8565
- 2-Hydroxyethanenitrile
- Glykolonitril
- Hydroxymethylkyanid
- Acetonitrile, 2-hydroxy-
- NSC 1790
- glycollonitrile
- 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 | 0.5822 | Relay (1.0) Calculated Property | |
| ΔfG° | -37.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -71.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.65 | eV | Relay (1.0) Calculated Property |
| log10WS | 1.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.498 | Crippen Calculated Property | |
| McVol | 46.290 | ml/mol | McGowan Calculated Property |
| Pc | 5544.32 | kPa | Joback Calculated Property |
| Tboil | 453.72 | K | Relay (1.0) Calculated Property |
| Tc | 686.45 | K | Relay (1.0) Calculated Property |
| Tfus | 230.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.188 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [79.88; 96.07] | J/mol×K | [439.42; 626.60] | 
|
| Cp,gas | 79.88 | J/mol×K | 439.42 | Joback Calculated Property |
| Cp,gas | 82.87 | J/mol×K | 470.62 | Joback Calculated Property |
| Cp,gas | 85.74 | J/mol×K | 501.81 | Joback Calculated Property |
| Cp,gas | 88.49 | J/mol×K | 533.01 | Joback Calculated Property |
| Cp,gas | 91.13 | J/mol×K | 564.21 | Joback Calculated Property |
| Cp,gas | 93.65 | J/mol×K | 595.41 | Joback Calculated Property |
| Cp,gas | 96.07 | J/mol×K | 626.60 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 372.70 | K | 2.30 | NIST |
Similar Compounds
Find more compounds similar to Acetonitrile, hydroxy-.
Sources
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