Chemical Properties of Arginine (CAS 74-79-3)

InChI

InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m1/s1

InChI Key

ODKSFYDXXFIFQN-SCSAIBSYSA-N

Formula

C6H14N4O2

SMILES

N=C(N)NCCCC(N)C(=O)O

Molecular Weight¹

174.20

CAS

74-79-3

Other Names

• (S)-2-Amino-5-[(aminoiminomethyl)amino]pentanoic acid
• Arginine, L-
• L-(+)-Arginine
• L-Arginine
• L-Norvaline, 5-[(aminoiminomethyl)amino]-
• L-Ornithine, N5-(aminoiminomethyl)-
• NSC 206269
• Norvaline, 5-[(aminoiminomethyl)amino]-, (L)-
• Pentanoic acid, 2-amino-5-[(aminoiminomethyl)amino]-, (S)-

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	[988.70; 1051.00]	kJ/mol
PAff	1051.00	kJ/mol	NIST
PAff	988.70	kJ/mol	NIST
BasG	1006.60	kJ/mol	NIST
IE	8.01	eV	Relay (1.0) Calculated Property
log10WS	-0.42		Relay (1.0) Calculated Property
logPoct/wat	-1.338		Crippen Calculated Property
McVol	138.460	ml/mol	McGowan Calculated Property
Tfus	[494.15; 533.00]	K
Tfus	494.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	533.00 ± 3.00	K	NIST
Tfus	498.00 ± 15.00	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[202.94; 458.10]	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			-9.37700e+00
Coefficient B			9.39380e-01
Coefficient C			-6.37400e-04
Coefficient D			1.65500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	202.94	J/mol×K	273.00	Calculated Property
Cp,gas	250.51	J/mol×K	353.78	Calculated Property
Cp,gas	292.05	J/mol×K	434.56	Calculated Property
Cp,gas	328.09	J/mol×K	515.33	Calculated Property
Cp,gas	359.16	J/mol×K	596.11	Calculated Property
Cp,gas	385.76	J/mol×K	676.89	Calculated Property
Cp,gas	408.44	J/mol×K	757.67	Calculated Property
Cp,gas	427.70	J/mol×K	838.44	Calculated Property
Cp,gas	444.08	J/mol×K	919.22	Calculated Property
Cp,gas	458.10	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Arginine.

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)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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