- InChI
- InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)
- InChI Key
- KZSNJWFQEVHDMF-UHFFFAOYSA-N
- Formula
- C5H11NO2
- SMILES
- CC(C)C(N)C(=O)O
- Molecular Weight1
- 117.15
- CAS
- 516-06-3
- Other Names
-
- (RS)-valine
- 2-Amino-3-methylbutanoic acid, DL-
- DL-2-amino-3-methylbutanoic acid
- DL-2-amino-3-methylbutyric acid
- DL-2-aminoisobutyric acid
- DL-Val
- DL-«alpha»-Aminoisovaleric acid
- NSC 9755
- Valine
- Valine, DL-
- butanoic acid, 3-amino-2-methyl-, (RS)-
- 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).
- 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 | 0.6355 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-2933.90; -2910.70] | kJ/mol |
|
| ΔcH°solid | -2910.70 ± 1.90 | kJ/mol | NIST |
| ΔcH°solid | -2933.90 ± 0.40 | kJ/mol | NIST |
| ΔfG° | -212.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -482.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -617.00 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 12.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.054 | Crippen Calculated Property | |
| McVol | 98.730 | ml/mol | McGowan Calculated Property |
| Pc | 4627.70 | kPa | Joback Calculated Property |
| Tboil | 468.09 | K | Relay (1.0) Calculated Property |
| Tc | 657.19 | K | Relay (1.0) Calculated Property |
| Tfus | 470.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.333 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.36; 278.30] | J/mol×K | [531.50; 722.61] |
|
| Cp,gas | 232.36 | J/mol×K | 531.50 | Joback Calculated Property |
| Cp,gas | 241.05 | J/mol×K | 563.35 | Joback Calculated Property |
| Cp,gas | 249.30 | J/mol×K | 595.20 | Joback Calculated Property |
| Cp,gas | 257.14 | J/mol×K | 627.06 | Joback Calculated Property |
| Cp,gas | 264.58 | J/mol×K | 658.91 | Joback Calculated Property |
| Cp,gas | 271.63 | J/mol×K | 690.76 | Joback Calculated Property |
| Cp,gas | 278.30 | J/mol×K | 722.61 | Joback Calculated Property |
| Cp,solid | [164.50; 165.00] | J/mol×K | [298.00; 298.00] |
|
| Cp,solid | 165.00 | J/mol×K | 298.00 | NIST |
| Cp,solid | 164.50 | J/mol×K | 298.00 | NIST |
Similar Compounds
Find more compounds similar to DL-Valine.
Mixtures
- Glucose + DL-Valine + Water
- tetramethylammonium bromide + DL-Valine + Water
- Tetraethylammonium bromide + DL-Valine + Water
- DL-Valine + sodium bromide + Water
- DL-Valine + potassium bromide + Water
- DL-Valine + Water
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Volumetric, viscometric, and refractive index behaviour of a-amino acids and their groups? contribution in aqueous D-glucose solution at different temperatures
- Interactions of some ex-amino acids with tetra-n-alkylammonium bromides in aqueous medium at different temperatures
- Solubility and Thermodynamics of Solute-Solvent Interactions of Some Amino Acids in Aqueous Sodium Bromide and Potassium Bromide Solutions
- Partial Molar Volumes and Viscosities of Some r-Amino Acids in Micellar Solutions of Sodium Caprylate
- Volumetric and Viscosity Properties of r-Amino Acids and Their Groups in Aqueous Sodium Caproate Solutions
- Joback 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.