Chemical Properties of DL-Valine (CAS 516-06-3)

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

• Valine, DL-
• DL-«alpha»-Aminoisovaleric acid
• DL-Val
• Valine
• 2-Amino-3-methylbutanoic acid, DL-
• NSC 9755

• ω : Acentric Factor.
• 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_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).
• 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	0.6355		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
ΔfH°gas	-482.03	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-617.00 ± 1.00	kJ/mol	NIST
ΔfusH°	17.00	kJ/mol	Joback Calculated Property
ΔvapH°	67.96	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	4238.55	kPa	Joback Calculated Property
Tboil	468.09	K	Relay (1.0) Calculated Property
Tc	666.70	K	Relay (1.0) Calculated Property
Tfus	473.35	K	Relay (1.0) Calculated Property
Vc	0.339	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,gas	[234.91; 285.01]	J/mol×K	[531.16; 742.24]
Cp,gas	234.91	J/mol×K	531.16	Joback Calculated Property
Cp,gas	244.58	J/mol×K	566.34	Joback Calculated Property
Cp,gas	253.68	J/mol×K	601.52	Joback Calculated Property
Cp,gas	262.25	J/mol×K	636.70	Joback Calculated Property
Cp,gas	270.32	J/mol×K	671.88	Joback Calculated Property
Cp,gas	277.90	J/mol×K	707.06	Joback Calculated Property
Cp,gas	285.01	J/mol×K	742.24	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.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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