- InChI
- InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)
- InChI Key
- OQEBBZSWEGYTPG-UHFFFAOYSA-N
- Formula
- C4H9NO2
- SMILES
- CC(N)CC(=O)O
- Molecular Weight1
- 103.12
- Other Names
-
- .beta.-amino-n-butyric acid
- .beta.-aminobutanoic acid
- .beta.-aminobutyric acid
- .beta.-methyl-.beta.-alanine
- 3-aminobutanoic acid
- 3-aminobutyric acid
- butyric acid, 3-amino-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -457.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | 1.08 | Aq. Solubility Prediction | |
| logPoct/wat | -0.192 | Crippen Calculated Property | |
| McVol | 84.640 | ml/mol | McGowan Calculated Property |
| Pc | 4769.39 | kPa | Joback Calculated Property |
| Tboil | 463.27 | K | Relay (1.0) Calculated Property |
| Tc | 671.34 | K | Relay (1.0) Calculated Property |
| Tfus | 397.22 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [124.02; 272.98] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 8.66100e+00 | |||
| Coefficient B | 5.02420e-01 | |||
| Coefficient C | -3.13000e-04 | |||
| Coefficient D | 7.49000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 124.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 150.55 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 174.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 194.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 212.80 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 228.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 242.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 254.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 264.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 272.98 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to beta-aminobutyric acid.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Binary Diffusion Coefficients of Aqueous Phenylalanine, Tyrosine Isomers, and Aminobutyric Acids at Infinitesimal Concentration and Temperatures from (293.2 to 333.2) K
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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