Chemical Properties of L-Cysteine (CAS 52-90-4)

InChI

InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1

InChI Key

XUJNEKJLAYXESH-UWTATZPHSA-N

Formula

C3H7NO2S

SMILES

NC(CS)C(=O)O

Molecular Weight¹

121.16

CAS

52-90-4

Other Names

• (R)-2-amino-3-mercaptopropanoic acid
• (R)-Cysteine
• 2-Amino-3-mercaptopropionic acid
• Cystein
• Cysteine
• Cysteine, L-
• Half-cystine
• L-(+)-Cysteine
• L-Alanine, 3-mercapto-
• L-Cys
• NSC-8746
• Propanoic Acid, 2-amino-3-mercapto-, (R)-
• Thioserine
• «alpha»-Amino-«beta»-thiolpropionic acid
• «beta»-Mercaptoalanine

• 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).
• 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).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	903.20	kJ/mol	NIST
BasG	869.30	kJ/mol	NIST
ΔcH°solid	[-2267.70; -2229.00]	kJ/mol
ΔcH°solid	-2248.84 ± 0.55	kJ/mol	NIST
ΔcH°solid	-2267.70 ± 2.10	kJ/mol	NIST
ΔcH°solid	-2248.90 ± 2.10	kJ/mol	NIST
ΔcH°solid	-2229.00 ± 3.00	kJ/mol	NIST
ΔfH°gas	-401.32	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	[-567.40; -534.08]	kJ/mol
ΔfH°solid	-534.08 ± 0.62	kJ/mol	NIST
ΔfH°solid	-567.40	kJ/mol	NIST
ΔfusH°	19.39	kJ/mol	Joback Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
log10WS	-0.19		Relay (1.0) Calculated Property
logPoct/wat	-0.672		Crippen Calculated Property
McVol	86.900	ml/mol	McGowan Calculated Property
S°solid,1 bar	169.90	J/mol×K	NIST
Tfus	487.00	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[123.59; 246.76]	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			2.44610e+01
Coefficient B			4.34700e-01
Coefficient C			-2.81000e-04
Coefficient D			6.86000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	123.59	J/mol×K	273.00	Calculated Property
Cp,gas	146.12	J/mol×K	353.78	Calculated Property
Cp,gas	165.93	J/mol×K	434.56	Calculated Property
Cp,gas	183.24	J/mol×K	515.33	Calculated Property
Cp,gas	198.27	J/mol×K	596.11	Calculated Property
Cp,gas	211.23	J/mol×K	676.89	Calculated Property
Cp,gas	222.35	J/mol×K	757.67	Calculated Property
Cp,gas	231.83	J/mol×K	838.44	Calculated Property
Cp,gas	239.89	J/mol×K	919.22	Calculated Property
Cp,gas	246.76	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to L-Cysteine.

Mixtures

• L-Cysteine + Water
• Sodium bromide + L-Cysteine + Water
• sodium chloride + L-Cysteine + Water
• potassium iodide + L-Cysteine + Water
• Sodium sulfate + L-Cysteine + Water
• Ethanol + L-Cysteine + Water
• Ethanol + L-Cysteine

Sources

• 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
• Heterogeneous interaction between zwitterions of some l- -amino acids and ethanol molecule in water at 298.15K
• Synthesis and thermodynamics studies of ionic liquid 1-methyl-3-pentylimidazolium bromide ([C5mim][Br]) with amino acids (L-cysteine and N-acetyl-L-cysteine) at different temperatures
• Solvation of Basic and Neutral Amino Acids in Aqueous Electrolytic Solutions: Measurements and Modeling
• Solubility of the Proteinogenic a-Amino Acids in Water, Ethanol, and Ethanol-Water Mixtures
• Enthalpic Interaction Coefficients of Several l-a-Amino Acids in Aqueous Sodium Chloride Solutions at 298.15 K
• Joback Method
• McGowan Method
• NIST Webbook

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