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)

InChI Key

XUJNEKJLAYXESH-UHFFFAOYSA-N

Formula

C3H7NO2S

SMILES

NC(CS)C(=O)O

Molecular Weight¹

121.16

CAS

52-90-4

Other Names

• Cysteine, L-
• «beta»-Mercaptoalanine
• Cystein
• Cysteine
• Half-cystine
• L-(+)-Cysteine
• L-Alanine, 3-mercapto-
• NSC-8746
• Propanoic Acid, 2-amino-3-mercapto-, (R)-
• Thioserine
• (R)-2-Amino-3-mercaptopropanoic acid
• «alpha»-Amino-«beta»-thiolpropionic acid
• (R)-Cysteine
• 2-Amino-3-mercaptopropionic acid
• L-Cys
• L-HSCH2CH(NH2)COOH
• Cysteine, DL-

• 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°	14.93	kJ/mol	Joback Calculated Property
IE	[9.00; 9.50]	eV
IE	9.50	eV	NIST
IE	9.00	eV	NIST
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	473.24	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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.08; 219.90]	J/mol×K	[549.04; 760.31]
Cp,gas	187.08	J/mol×K	549.04	Joback Calculated Property
Cp,gas	193.43	J/mol×K	584.25	Joback Calculated Property
Cp,gas	199.41	J/mol×K	619.46	Joback Calculated Property
Cp,gas	205.04	J/mol×K	654.67	Joback Calculated Property
Cp,gas	210.32	J/mol×K	689.89	Joback Calculated Property
Cp,gas	215.27	J/mol×K	725.10	Joback Calculated Property
Cp,gas	219.90	J/mol×K	760.31	Joback Calculated Property
Cp,solid	162.30	J/mol×K	297.60	NIST

Similar Compounds

Find more compounds similar to 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
• 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.