- InChI
- InChI=1S/C6H11NO2/c1-8-6(9-2)4-3-5-7/h6H,3-4H2,1-2H3
- InChI Key
- XJHNCGVHPLDMRK-UHFFFAOYSA-N
- Formula
- C6H11NO2
- SMILES
- COC(CCC#N)OC
- Molecular Weight1
- 129.16
- CAS
- 14618-78-1
- Other Names
-
- «beta»-Cyanopropionaldehyde dimethylacetal
- Butanenitrile, 4,4-dimethoxy-
- Cyanopropionaldehyde dimethyl acetal
- 3-Cyanopropionaldehyde dimethyl 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).
- 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).
- 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 | 0.4788 | Relay (1.0) Calculated Property | |
| ΔfG° | -79.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -246.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.34 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.909 | Crippen Calculated Property | |
| McVol | 108.520 | ml/mol | McGowan Calculated Property |
| Pc | 2937.70 | kPa | Joback Calculated Property |
| Inp | 1020.00 | NIST | |
| Tboil | 486.08 | K | Relay (1.0) Calculated Property |
| Tc | 643.77 | K | Relay (1.0) Calculated Property |
| Tfus | 217.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.399 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.62; 284.27] | J/mol×K | [483.16; 674.45] | 
|
| Cp,gas | 232.62 | J/mol×K | 483.16 | Joback Calculated Property |
| Cp,gas | 241.98 | J/mol×K | 515.04 | Joback Calculated Property |
| Cp,gas | 251.05 | J/mol×K | 546.92 | Joback Calculated Property |
| Cp,gas | 259.82 | J/mol×K | 578.80 | Joback Calculated Property |
| Cp,gas | 268.29 | J/mol×K | 610.68 | Joback Calculated Property |
| Cp,gas | 276.45 | J/mol×K | 642.56 | Joback Calculated Property |
| Cp,gas | 284.27 | J/mol×K | 674.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,4-Dimethoxybutyronitrile.
Sources
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