- InChI
- InChI=1S/C8H15NO2/c1-3-10-8(11-4-2)6-5-7-9/h8H,3-6H2,1-2H3
- InChI Key
- DRZCPHGVEATLFR-UHFFFAOYSA-N
- Formula
- C8H15NO2
- SMILES
- CCOC(CCC#N)OCC
- Molecular Weight1
- 157.21
- CAS
- 18381-45-8
- Other Names
-
- 3-Cyanopropionaldehyde diethyl acetal
- 4,4-diethoxybutanenitrile
- Propionaldehyde, 3-cyano-, diethyl acetal
- 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).
- 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 | 0.5396 | Relay (1.0) Calculated Property | |
| ΔfG° | -62.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.26 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.689 | Crippen Calculated Property | |
| McVol | 136.700 | ml/mol | McGowan Calculated Property |
| Pc | 2410.00 | kPa | Joback Calculated Property |
| Tboil | 499.78 | K | Relay (1.0) Calculated Property |
| Tc | 657.25 | K | Relay (1.0) Calculated Property |
| Tfus | 214.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.504 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [317.72; 381.09] | J/mol×K | [528.92; 715.81] | 
|
| Cp,gas | 317.72 | J/mol×K | 528.92 | Joback Calculated Property |
| Cp,gas | 329.35 | J/mol×K | 560.07 | Joback Calculated Property |
| Cp,gas | 340.56 | J/mol×K | 591.22 | Joback Calculated Property |
| Cp,gas | 351.34 | J/mol×K | 622.37 | Joback Calculated Property |
| Cp,gas | 361.70 | J/mol×K | 653.51 | Joback Calculated Property |
| Cp,gas | 371.61 | J/mol×K | 684.66 | Joback Calculated Property |
| Cp,gas | 381.09 | J/mol×K | 715.81 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 378.20 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to Butanenitrile, 4,4-diethoxy-.
Sources
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