Chemical Properties of L-Valine (CAS 72-18-4)

InChI

InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1

InChI Key

KZSNJWFQEVHDMF-BYPYZUCNSA-N

Formula

C5H11NO2

SMILES

CC(C)[C@H](N)C(=O)O

Molecular Weight¹

117.15

CAS

72-18-4

Other Names

• (S)-(+)-valine
• (S)-2-Amino-3-methylbutanoic acid
• (S)-2-Amino-3-methylbutyric acid
• (S)-3-amino-2-methylbutanoic acid
• (S)-Valine
• 2-Amino-3-methylbutanoic acid
• 2-Amino-3-methylbutyric acid
• Butanoic acid, 2-amino-3-methyl-
• L-(+)-«alpha»-Aminoisovaleric acid
• L-2-amino-3-methylbutanoic acid
• L-2-amino-3-methylbutyric acid
• L-2-aminoisovaleric acid
• L-iso-C3H7CH(NH2)COOH
• NSC 76038
• Valine, L-
• butanoic acid, 2-amino-3-methyl-, (S)-
• Valine

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6240		Relay (1.0) Calculated Property
PAff	910.60	kJ/mol	NIST
BasG	[873.00; 876.70]	kJ/mol
BasG	876.70	kJ/mol	NIST
BasG	873.00 ± 3.00	kJ/mol	NIST
ΔcH°solid	[-2920.10; -2910.70]	kJ/mol
ΔcH°solid	-2910.70 ± 1.90	kJ/mol	NIST
ΔcH°solid	-2920.10 ± 0.54	kJ/mol	NIST
ΔfH°gas	-477.12	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	[-628.90; -618.00]	kJ/mol
ΔfH°solid	-628.90 ± 1.90	kJ/mol	NIST
ΔfH°solid	-618.00	kJ/mol	NIST
ΔfusH°	17.00	kJ/mol	Joback Calculated Property
ΔvapH°	66.04	kJ/mol	Relay (1.0) Calculated Property
IE	8.71	eV	NIST
log10WS	-0.31		Aq. Solubility Prediction
logPoct/wat	0.054		Crippen Calculated Property
McVol	98.730	ml/mol	McGowan Calculated Property
Pc	4238.55	kPa	Joback Calculated Property
S°solid,1 bar	178.87	J/mol×K	NIST
Tboil	475.95	K	Relay (1.0) Calculated Property
Tc	661.75	K	Relay (1.0) Calculated Property
Tfus	[585.65; 588.15]	K
Tfus	588.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	585.65	K	Aq. Solubility Prediction
Vc	0.349	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[168.50; 168.82]	J/mol×K	[298.15; 298.15]
Cp,solid	168.50	J/mol×K	298.15	NIST
Cp,solid	168.82	J/mol×K	298.15	NIST
ΔsubH	[163.00; 163.00]	kJ/mol	[455.00; 455.00]
ΔsubH	163.00 ± 0.80	kJ/mol	455.00	NIST
ΔsubH	163.00 ± 8.00	kJ/mol	455.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[144.92; 325.11]	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			6.07000e+00
Coefficient B			6.03340e-01
Coefficient C			-3.70600e-04
Coefficient D			8.63000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	144.92	J/mol×K	273.00	Calculated Property
Cp,gas	176.96	J/mol×K	353.78	Calculated Property
Cp,gas	205.35	J/mol×K	434.56	Calculated Property
Cp,gas	230.38	J/mol×K	515.33	Calculated Property
Cp,gas	252.32	J/mol×K	596.11	Calculated Property
Cp,gas	271.43	J/mol×K	676.89	Calculated Property
Cp,gas	287.99	J/mol×K	757.67	Calculated Property
Cp,gas	302.28	J/mol×K	838.44	Calculated Property
Cp,gas	314.56	J/mol×K	919.22	Calculated Property
Cp,gas	325.11	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to L-Valine.

Mixtures

• L-Valine + d-Mannose + Water
• L-Valine + Water + Tetradonium Bromide
• L-Valine + Vitamin C + Water
• L-Valine + Water
• L-Valine + Streptomycin sulfate + Water
• L-Valine + Lactose + Water
• L-Valine + Water + Pentoxifylline
• Betaine + L-Valine + Water
• L-Valine + xylose + Water
• L-Valine + Water + Cetrimonium Bromide
• L-Valine + Sucrose + Water
• L-Valine + 2,3-Butanediol + Water
• L-Valine + norvaline + Water
• L-Valine + L-Alanine + Water
• L-Valine + Piroxicam + Water
• L-Valine + N-Methylglycine + Water
• potassium chloride + L-Valine + Water
• Potassium nitrate + L-Valine + Water
• L-Valine + Water + Methanamine, N,N-dimethyl-, N-oxide
• L-Valine + Sorbitol + Water

Find more mixtures with L-Valine.

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
• Effect of KCl and KNO3 on Partial Molal Volumes and Partial Molal Compressibilities of Some Amino Acids at Different Temperatures
• Solvation Behavior of Glycine, l-Alanine, and l-Valine in Aqueous Solutions of Triammonium Citrate at Different Temperatures with Reference to Speeds of Sound Measurements
• Densities and electrical conductances of amino acids + ionic liquid ([HMIm]Br) + H2O mixtures at 298.15 K
• Activity coefficients of glycine, d-alanine and l-valine in aqueous solutions containing MgSO4 at 298.15 K; experimental determination and correlation
• Study of solvation consequences of alpha-amino acids in aqueous ionicliquid solution probed by physicochemical approach
• Interactions of some amino acids and glycine peptideswith aqueous sodium dodecyl sulfate and cetyltrimethylammonium bromide at T 1/4 298:15 K: a volumetric approach
• Volumetric properties of L-alanine, and L-valine in aqueous sucrose solutions at T = (288.15 and 308.15) K
• Viscosity studies of (L-alanine-, L-proline, L-valine, L-leucine + aqueous KCl/KNO3) solutions at different temperatures
• Volumetric, ultrasonic, and viscometric behaviour of glycine, DL-alanine, and L-valine in aqueous 1,4-butanediol solutions at different temperatures
• Volumetric behaviour of amino acids and their group contributions in aqueous lactose solutions at different temperatures
• Interaction of some hydrophobic amino acids, peptides, and protein with aqueous 3-chloro-1,2-propanediol and 3-chloro-1-propanol: Biophysical studies
• Partial molar volume and partial molar compressibility of four homologous alpha-amino acids in aqueous sodium fluoride solutions at different temperatures
• Thermodynamics of the interactions of a homologous series of some amino acids with trimethylamine N-oxide: Volumetric, compressibility, and calorimetric studies
• Effect of hydrophilic additives on volumetric and viscosity properties of amino acids in aqueous solutions at T = (283.15 to 333.15) K
• Interactions of amino acids and peptides with the drug pentoxifylline in aqueous solution at various temperatures: A volumetric approach
• Study of thermodynamic properties of aqueous binary mixtures of L-threonine, L-valine and L-arginine at low temperatures (T/K = 275.15, 279.15 and 283.15)
• Interactions of glycine, L-alanine and L-valine with aqueous solutions of trisodium citrate at different temperatures: A volumetric and acoustic approach
• Measuring and modeling aqueous electrolyte/amino-acid solutions with ePC-SAFT
• Interaction of homologous series of amino acids with sarcosine in presence of denaturant: Volumetric and calorimetric approach
• Study of the interactions of PAMAM-NH2 G4 dendrimer with selected natural amino acids in aqueous solutions
• Thermodynamics of the interactions of some amino acids and peptides with dodecyltrimethylammonium bromide and tetradecyltrimethylammonium bromide
• Volumetric and viscometric studies of amino acids in L-ascorbic acid aqueous solutions at T = (293.15 to 323.15) K
• Investigation on molecular interaction of amino acids in aqueous disodium hydrogen phosphate solutions with reference to volumetric and compressibility measurements
• Solvation behaviour of biologically active compounds in aqueous solutions of antibacterial drug amoxicillin at different temperatures
• Solute-solvent interactions of glycine, L-alanine, and L-valine in aqueous 1-methyl imidazolium chloride ionic liquid solutions in the temperature interval (288.15 to 308.15) K
• Investigation on solute solvent interactions of glycine, L-alanine and L-valine in aqueous tetraethylammonium iodide solutions at different temperatures with reference to volumetric and acoustic measurements
• Volumetric and viscometric study of amino acids in aqueous sorbitol solution at different temperatures
• Study of (solute + solute) and (solute + solvent) interactions of homologous series of some .alpha.-amino acids in aqueous-streptomycin sulfate solutions at different temperatures by using physicochemical methods
• Physicochemical study of solute-solute and solute-solvent interactions of glycine, L-alanine, L-valine and L-isoleucine in aqueous-D-mannose solutions at temperatures from 293.15 K to 318.15 K
• Solvation behavior of some amino acids in aqueous solutions of non-steroidal anti-inflammatory drug sodium ibuprofen at different temperatures analysed by volumetric and acoustic methods
• Intermolecular interactions of .alpha.-amino acids and glycyl dipeptides with the drug domiphen bromide in aqueous solutions analyzed by volumetric and UV-vis spectroscopy methods
• Thermodynamics of (solute + solute) and (solute + solvent) interactions of homologous series of amino acids with thiamine hydrochloride in aqueous medium at T = (305.15, 310.15, 315.15) K: A volumetric and acoustic approach
• Study of solute-solute and solute-solvent interactions of homologous series of some .alpha.-amino acids in aqueous-D-xylose solutions at different temperatures by using physicochemical methods
• Investigations on molecular interaction of some amino acids with the drug levofloxacin in aqueous solution by volumetric and acoustic methods at different temperatures
• Study of solvation consequences of glycine, L-alanine and L-valine in aqueous 1-butyl-4-methyl pyridinium chloride ionic liquid solutions probed by physicochemical approach in the temperature interval (288.15-308.15) K
• Volumetric and viscometric properties of amino acids in aqueous maltitol solutions at T = (293.15-323.15) K
• Mode of action of betaine on some amino acids and globular proteins: Thermodynamic considerations
• Effect of 1-butyl-4-methyl pyridinium iodide, [C4mpy]I, ionic liquid on hydration behaviour of aqueous solutions of alpfa-amino acids at different temperatures through volumetric and ultrasonic study
• Ternary phase diagram and the formation mechanism of two distinct solid solutions of amino acid systems: L-Valine/L-norvaline and L-valine/L-alanine
• Thermo-physical properties of l-Alanine/l-Valine in aqueous solutions of non steroid anti inflammatory drug dolonex at different temperatures: Volumetric and acoustic approach
• Temperature and concentration dependence towards physicochemical and FTIR spectral studies of glycine, L-alanine and L-valine in aqueous solutions of nortriptyline hydrochloride
• Effect of concentration and temperature on apparent molar properties of homologous alpha-amino acids in aqueous-semicarbazide hydrochloride solutions: A quest on the concept of kosmotropic/chaotropic behaviour of amino acids
• Molecular interactions between some amino acids and a pharmaceutically active ionic liquid domiphen DL-mandelic acid in aqueous medium at temperatures from 293.15 K to 313.15 K
• Thermochemistry of Zn(AA)SO4*H2O(s) (AA = l-?-valine and methionine)
• Enthalpic interactions between some amino acids and cyclohexanone in aqueous solutions at 298.15K
• A calorimetric study on interactions of amino acids with sodium dodecylsulfate and dodecyltrimethylammonium bromide in aqueous solutions at 298.15K
• Interactions in l-alanine /l-proline /l-valine /l-leucine aqueous KCl/KNO3 systems at different temperatures: An isentropic compressibility study
• Probing solute solvent interactions of some bio-active solutes inaqueous barium nitrate solution on the basis of physicochemicalcontrivances
• Transfer Enthalpies of Amino Acids and Glycine Peptides from Water to Aqueous Solutions of Trimethylamine N-oxide at 298.15 K
• Solute-solvent interactions of glycine, L-alanine, and L-valine in aqueous 1-methyl-3-octylimidazolium chloride ionic liquid solutions in the temperature interval (288.15 - 308.15) K
• Thermodynamics of solution of L-valine in water
• Densities, Sound Speed, and Viscosities of Some Amino Acids with Aqueous Tetra-Butyl Ammonium Iodide Solutions at Different Temperatures
• Density and Viscosity Study of Interactions of Some Amino Acids in Aqueous Solutions of Sodium Benzoate
• Densities and viscosities of amino acid + xylitol + water solutions at 293.15 less than T/K greater than 323.15
• Densities and Speeds of Sound of Solutions of Glycine, l-Alanine, and l-Valine in Aqueous Ammonium Dihydrogen Phosphate at Different Temperatures
• Investigation of Volumetric and Acoustic Properties of Procainamide Hydrochloride in Aqueous Binary and (Water + Amino Acid) Ternary Mixtures at Different Temperatures
• Surface Tension of Aqueous Solutions of Small-Chain Amino and Organic Acids
• Studies on the Diffusion Coefficients of Amino Acids in Aqueous Solutions
• Infinite Dilution Binary Diffusion Coefficients of Several r-Amino Acids in Water over a Temperature Range from (293.2 to 333.2) K with the Taylor Dispersion Technique
• Thermodynamic Study of Some Amino Acids, 2-Aminopropanoic Acid, 2-Amino-3-methylbutanoic Acid, 2-Amino-4-methylpentanoic Acid, and 2-Amino-3-phenylpropanoic Acid in Aqueous Saccharide Solutions at Different Temperatures: Volumetric and Ultrasonic Study
• Volumetric and Viscometric Studies of Some Amino Acids in Aqueous Solutions of Cadmium Chloride at T = (288.15 to 318.15) K and at Atmospheric Pressure
• Study of Solvation Behavior of Some Biologically Active Compounds in Aqueous Barium Chloride Solution
• Viscosities of Glycine, l-Alanine, and l-Valine in (0.2, 0.4, 0.6, and 0.8) mol*kg 1 Aqueous Trisodium Citrate Solutions at Different Temperatures
• Measurement and Correlation for Solubility of L-valine in Water, Ethanol, N,N-Dimethylformamide, Acetone, and Isopropyl alcohol between 293.15 and 343.15 K
• Measurement and Correlation of Solubility of l-Valine in Water + (Ethanol, N,N-Dimethylformamide, Acetone, Isopropyl Alcohol) from 293.15 K to 343.15 K
• Densities and Speeds of Sound of Glycine, l-Alanine, and l-Valine in Aqueous 1-Ethyl-3-methylimidazolium Chloride Solutions at Different Temperatures
• Volumetric and Viscometric Studies of Amino Acids in Vitamin B6 Aqueous Solutions at Various Temperatures
• Volumetric and Viscometric Studies of Amino Acids in Mannitol Aqueous Solutions at T = (293.15 to 323.15) K
• Apparent Molar Volumes and Viscosity B-Coefficients of Some Amino Acids in Aqueous Tetramethylammonium Iodide Solutions at 298.15 K
• Enthalpies of Transfer of Amino Acids from Water to Aqueous Cationic Surfactants Solutions at 298.15 K
• Study of Interactions between Amino Acids and Zinc Chloride in Aqueous Solutions through Volumetric Measurements at T ) (288.15 to 318.15) K
• Densities, Viscosities, Electrical Conductances, and Refractive Indices of Amino Acid + Ionic Liquid ([BMIm]Br) + Water Mixtures at 298.15 K
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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