- 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
- 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
- «beta»-Thiovaline
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -178.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -353.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.84 | kJ/mol | Joback Calculated Property |
| log10WS | -0.13 | Aq. Sol... | |
| logPoct/wat | 0.107 | Crippen Calculated Property | |
| McVol | 115.080 | ml/mol | McGowan Calculated Property |
| Pc | 5138.68 | kPa | Joback Calculated Property |
| Tboil | 591.57 | K | Joback Calculated Property |
| Tc | 808.47 | K | Joback Calculated Property |
| Tfus | 471.65 | K | Aq. Sol... |
| Vc | 0.406 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [276.87; 321.95] | J/mol×K | [591.57; 808.47] | 
|
| Cp,gas | 276.87 | J/mol×K | 591.57 | Joback Calculated Property |
| Cp,gas | 285.84 | J/mol×K | 627.72 | Joback Calculated Property |
| Cp,gas | 294.17 | J/mol×K | 663.87 | Joback Calculated Property |
| Cp,gas | 301.91 | J/mol×K | 700.02 | Joback Calculated Property |
| Cp,gas | 309.09 | J/mol×K | 736.17 | Joback Calculated Property |
| Cp,gas | 315.76 | J/mol×K | 772.32 | Joback Calculated Property |
| Cp,gas | 321.95 | J/mol×K | 808.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Penicillamine.
Mixtures
Sources
- 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
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