- InChI
- InChI=1S/C7H12N2O2/c1-9(6-4-8)5-3-7(10)11-2/h3,5-6H2,1-2H3
- InChI Key
- OISXPVIXWOLSPB-UHFFFAOYSA-N
- Formula
- C7H12N2O2
- SMILES
- COC(=O)CCN(C)CC#N
- Molecular Weight1
- 156.18
- CAS
- 59039-83-7
- 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).
- 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 | 0.5406 | Relay (... Calculated Property | |
| ΔfG° | 18.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -232.07 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.83 | kJ/mol | Relay (... Calculated Property |
| IE | 8.95 | eV | Relay (... Calculated Property |
| log10WS | 0.12 | Relay (... Calculated Property | |
| logPoct/wat | 0.005 | Crippen Calculated Property | |
| McVol | 128.290 | ml/mol | McGowan Calculated Property |
| Pc | 2856.62 | kPa | Joback Calculated Property |
| Tboil | 511.56 | K | Relay (... Calculated Property |
| Tc | 680.38 | K | Relay (... Calculated Property |
| Tfus | 273.50 | K | Relay (... Calculated Property |
| Vc | 0.471 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.91; 354.18] | J/mol×K | [550.37; 743.28] | 
|
| Cp,gas | 298.91 | J/mol×K | 550.37 | Joback Calculated Property |
| Cp,gas | 309.34 | J/mol×K | 582.52 | Joback Calculated Property |
| Cp,gas | 319.27 | J/mol×K | 614.67 | Joback Calculated Property |
| Cp,gas | 328.71 | J/mol×K | 646.82 | Joback Calculated Property |
| Cp,gas | 337.67 | J/mol×K | 678.97 | Joback Calculated Property |
| Cp,gas | 346.15 | J/mol×K | 711.13 | Joback Calculated Property |
| Cp,gas | 354.18 | J/mol×K | 743.28 | Joback Calculated Property |
Similar Compounds
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)
Find more compounds similar to Methyl(n-cyanomethyl-n-methyl)-beta-aminopropionate.
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