- InChI
- InChI=1S/C5H11NO2/c1-4(3-6)5(7)8-2/h4H,3,6H2,1-2H3
- InChI Key
- BXGDNKQFNQZCLG-UHFFFAOYSA-N
- Formula
- C5H11NO2
- SMILES
- COC(=O)C(C)CN
- Molecular Weight1
- 117.15
- Other Names
-
- Methyl 3-amino-2-methylpropanoate
- 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 | 0.4608 | Relay (1.0) Calculated Property | |
| ΔfG° | -178.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -436.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.246 | Crippen Calculated Property | |
| McVol | 98.730 | ml/mol | McGowan Calculated Property |
| Pc | 3970.51 | kPa | Joback Calculated Property |
| Inp | 902.20 | NIST | |
| Tboil | 414.50 | K | Relay (1.0) Calculated Property |
| Tc | 598.35 | K | Relay (1.0) Calculated Property |
| Tfus | 286.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.344 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.74; 263.02] | J/mol×K | [462.18; 659.06] | 
|
| Cp,gas | 210.74 | J/mol×K | 462.18 | Joback Calculated Property |
| Cp,gas | 220.39 | J/mol×K | 494.99 | Joback Calculated Property |
| Cp,gas | 229.66 | J/mol×K | 527.81 | Joback Calculated Property |
| Cp,gas | 238.56 | J/mol×K | 560.62 | Joback Calculated Property |
| Cp,gas | 247.09 | J/mol×K | 593.43 | Joback Calculated Property |
| Cp,gas | 255.24 | J/mol×K | 626.24 | Joback Calculated Property |
| Cp,gas | 263.02 | J/mol×K | 659.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to dl-3-Aminoisobutyric acid, methyl ester.
Sources
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