- 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-Aminopropanoic acid
- 3-Aminopropionic acid
- Abufene
- Alanine, beta-
- Beta-alanine
- NSC 7603
- Propanoic acid, 3-amino-
- «beta»-Aminopropionic acid
- «omega»-Aminopropionic acid
- «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 (... 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° | -224.91 | 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° | 14.41 | 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° | 71.60 | kJ/mol | Relay (... Calculated Property |
| IE | 9.67 | eV | Relay (... Calculated Property |
| log10WS | 1.00 | Aq. Sol... | |
| logPoct/wat | -0.580 | Crippen Calculated Property | |
| McVol | 70.550 | ml/mol | McGowan Calculated Property |
| Pc | 5972.16 | kPa | Joback Calculated Property |
| Tboil | 490.57 | K | Relay (... Calculated Property |
| Tc | 695.78 | K | Relay (... Calculated Property |
| Tfus | 477.50 | K | Thermop... |
| Vc | 0.238 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.00; 182.49] | J/mol×K | [486.62; 674.22] |
|
| Cp,gas | 151.00 | J/mol×K | 486.62 | Joback Calculated Property |
| Cp,gas | 156.90 | J/mol×K | 517.89 | Joback Calculated Property |
| Cp,gas | 162.53 | J/mol×K | 549.15 | Joback Calculated Property |
| Cp,gas | 167.90 | J/mol×K | 580.42 | Joback Calculated Property |
| Cp,gas | 173.01 | J/mol×K | 611.68 | Joback Calculated Property |
| Cp,gas | 177.88 | J/mol×K | 642.95 | Joback Calculated Property |
| Cp,gas | 182.49 | J/mol×K | 674.22 | Joback Calculated Property |
| 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 |
Similar Compounds
Find more compounds similar to «beta»-Alanine.
Mixtures
- «beta»-Alanine + Water
- sodium chloride + «beta»-Alanine + Water
- «beta»-Alanine + Methyl Alcohol + Water
Sources
- 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
- 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
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.