- InChI
- InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
- InChI Key
- UCMIRNVEIXFBKS-UHFFFAOYSA-N
- Formula
- C3H7NO2
- SMILES
- NCCC(=O)O
- Molecular Weight1
- 89.09
- CAS
- 107-95-9
- Other Names
-
- .beta.-alanine
- 2-Carboxyethylamine
- 3-Aminopropionic acid
- 3-aminopropanoic acid
- Abufene
- Alanine, beta-
- Beta-alanine
- NSC 7603
- propanoic acid, 3-amino-
- «beta»-Aminopropionic acid
- «omega»-Aminopropionic acid
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 | 0.6759 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-1871.00; -1622.90] | kJ/mol |
|
| ΔcH°solid | -1871.00 ± 1.50 | kJ/mol | NIST |
| ΔcH°solid | -1622.90 ± 0.23 | kJ/mol | NIST |
| ΔfG° | -303.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -424.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°solid | [-558.04; -310.00] | kJ/mol |
|
| ΔfH°solid | -547.10 ± 1.10 | kJ/mol | NIST |
| ΔfH°solid | -310.00 ± 1.50 | kJ/mol | NIST |
| ΔfH°solid | -558.04 ± 0.31 | kJ/mol | NIST |
| ΔfusH° | 18.87 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [134.00; 134.00] | kJ/mol |
|
| ΔsubH° | 134.00 ± 2.00 | kJ/mol | NIST |
| ΔsubH° | 134.00 ± 2.00 | kJ/mol | NIST |
| ΔvapH° | 71.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.67 | eV | Relay (1.0) Calculated Property |
| log10WS | 1.00 | Aq. Solubility Prediction | |
| logPoct/wat | -0.580 | Crippen Calculated Property | |
| McVol | 70.550 | ml/mol | McGowan Calculated Property |
| Pc | 5406.57 | kPa | Joback Calculated Property |
| Tboil | 490.57 | K | Relay (1.0) Calculated Property |
| Tc | 703.82 | K | Relay (1.0) Calculated Property |
| Tfus | [471.15; 477.50] | K |
|
| Tfus | 477.50 | K | Thermophysical Study of Several alpha- and beta-Amino Acid Derivatives by Differential Scanning Calorimetry (DSC) |
| Tfus | 471.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.244 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | [109.00; 116.40] | J/mol×K | [298.00; 298.00] |
|
| Cp,solid | 109.00 | J/mol×K | 298.00 | NIST |
| Cp,solid | 109.30 | J/mol×K | 298.00 | NIST |
| Cp,solid | 116.40 | J/mol×K | 298.00 | NIST |
| ΔsubH | 133.10 ± 0.70 | kJ/mol | 393.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [103.12; 220.85] | 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 | 1.12520e+01 | |||
| Coefficient B | 4.01500e-01 | |||
| Coefficient C | -2.55400e-04 | |||
| Coefficient D | 6.35000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 103.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 124.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 142.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 159.02 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 173.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 185.70 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 196.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 205.77 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 213.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 220.85 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine.
Mixtures
- «beta»-Alanine + Water
- «beta»-Alanine + Methyl Alcohol + Water
- sodium chloride + «beta»-Alanine + Water
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Osmotic and activity coefficients of alpha, omega-amino acids in aqueous solutions at 298.15 K
- Effect of temperature on the dilution enthalpies of alpha,omega-amino acids in aqueous solutions
- Study of thermodynamic properties of aqueous binary mixtures of glycine, L-alanine and b-alanine at low temperatures (T = 275.15, 279.15, and 283.15) K
- Thermochemistry of the solution of .beta.-alanine in (water + alcohol) mixtures at 298.15 K
- Partial Molar Volumes, Partial Molar Compressibilities, and Viscosities of alpha,w-Amino Acids in Water and in Aqueous Solutions of Sodium Chloride over a Temperature Range of 293.2-333.2 K
- Solution Thermodynamic Analysis of p-(Aminomethyl)benzoic Acid in Four Binary Solvents from 288.15 to 328.15 K
- Studies on the Diffusion Coefficients of Amino Acids in Aqueous Solutions
- Thermophysical Study of Several alpha- and beta-Amino Acid Derivatives by Differential Scanning Calorimetry (DSC)
- Binary Diffusion Coefficients of Aqueous Straight-Chain Amino Acids at Infinitesimal Concentration and Temperatures from (298.2 to 333.2) K
- Enthalpies of .beta.-Alanine Dissolution in Some Water + Organic Mixtures at 298.15 K
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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