Chemical Properties of Penicillamine (CAS 52-67-5)

InChI

InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)

InChI Key

VVNCNSJFMMFHPL-UHFFFAOYSA-N

Formula

C5H11NO2S

SMILES

CC(C)(S)C(N)C(=O)O

Molecular Weight¹

149.21

CAS

52-67-5

Other Names

• (-)-Penicillamine
• (2S)-2-Amino-3-methyl-3-sulfanylbutanoic acid
• (S)-3,3-Dimethylcysteine
• (S)-Penicillamin
• (S)-Penicillamine
• .beta.,.beta.-dimethylcysteine
• 2-amino-3-mercapto-3-methylbutanoic acid
• 3-sulfanylvaline
• Artamine
• Cuprenil
• Cuprimine
• Cupripen
• D-(-)-Penicillamine
• D-3-Mercaptovaline
• D-Mercaptovaline
• D-Penamine
• D-Penicillamine
• D-Valine, 3-mercapto-
• D-«beta»,«beta»-Dimethylcysteine
• D-«beta»-Thiovaline
• DL-3-mercaptovaline
• DL-penicillamine
• DPA
• Depamine
• Depen
• Kuprenil
• Mercaptyl
• Metalcaptase
• NSC 81549
• Pendramine
• Penicillamin
• Perdolat
• Reduced D-penicillamine
• Reduced penicillamine
• Sufirtan
• Trolovol
• Valine, 3-mercapto-, D-
• pencillamine
• «beta»-Thiovaline
• D-Penicyllamine

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[164.55; 351.41]	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			-1.83000e+00
Coefficient B			7.50540e-01
Coefficient C			-5.61600e-04
Coefficient D			1.64300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.55	J/mol×K	273.00	Calculated Property
Cp,gas	200.68	J/mol×K	353.78	Calculated Property
Cp,gas	231.75	J/mol×K	434.56	Calculated Property
Cp,gas	258.29	J/mol×K	515.33	Calculated Property
Cp,gas	280.81	J/mol×K	596.11	Calculated Property
Cp,gas	299.84	J/mol×K	676.89	Calculated Property
Cp,gas	315.90	J/mol×K	757.67	Calculated Property
Cp,gas	329.50	J/mol×K	838.44	Calculated Property
Cp,gas	341.16	J/mol×K	919.22	Calculated Property
Cp,gas	351.41	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Penicillamine.

Mixtures

• Penicillamine + Water
• Formamide, N,N-dimethyl- + Penicillamine + Water

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
• Enthalpies of Dilution of Penicillamines in N,N-Dimethylformamide + Water Mixtures at 298.15 K
• Joback Method
• Aqueous Solubility Prediction 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.
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