- InChI
- InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2
- InChI Key
- CGFGIKNLZTZJDE-UHFFFAOYSA-N
- Formula
- C4H5NO
- SMILES
- N#CCCC=O
- Molecular Weight1
- 83.09
- CAS
- 3515-93-3
- Other Names
-
- Propanal, 3-cyano-
- «beta»-Cyanopropionaldehyde
- 3-formylpropiononitrile
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid 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°liquid : Liquid phase 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).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -2301.50 ± 1.50 | kJ/mol | NIST |
| ΔfG° | 16.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -46.59 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | 12.80 ± 1.50 | kJ/mol | NIST |
| ΔfusH° | 9.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.70 | kJ/mol | Joback Calculated Property |
| log10WS | -0.64 | Crippen Calculated Property | |
| logPoct/wat | 0.489 | Crippen Calculated Property | |
| McVol | 70.170 | ml/mol | McGowan Calculated Property |
| Pc | 4146.27 | kPa | Joback Calculated Property |
| Tboil | 441.66 | K | Joback Calculated Property |
| Tc | 640.82 | K | Joback Calculated Property |
| Tfus | 241.83 | K | Joback Calculated Property |
| Vc | 0.302 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [129.12; 158.86] | J/mol×K | [441.66; 640.82] | 
|
| Cp,gas | 129.12 | J/mol×K | 441.66 | Joback Calculated Property |
| Cp,gas | 134.70 | J/mol×K | 474.85 | Joback Calculated Property |
| Cp,gas | 140.02 | J/mol×K | 508.05 | Joback Calculated Property |
| Cp,gas | 145.09 | J/mol×K | 541.24 | Joback Calculated Property |
| Cp,gas | 149.92 | J/mol×K | 574.43 | Joback Calculated Property |
| Cp,gas | 154.51 | J/mol×K | 607.62 | Joback Calculated Property |
| Cp,gas | 158.86 | J/mol×K | 640.82 | Joback Calculated Property |
| Cp,liquid | 195.90 | J/mol×K | 300.00 | NIST |
Similar Compounds
Find more compounds similar to Butanenitrile, 4-oxo-.
Sources
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