- InChI
- InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
- InChI Key
- PWKSKIMOESPYIA-UHFFFAOYSA-N
- Formula
- C5H9NO3S
- SMILES
- CC(=O)NC(CS)C(=O)O
- Molecular Weight1
- 163.20
- Other Names
-
- Acetein
- Airbron
- Broncholysin
- Brunac
- Cysteine, N-acetyl-, L-
- Fabrol
- Fluatox
- Fluimicil Infantil
- Fluimucetin
- Fluimucil
- Flumucetin
- Fluprowit
- Inspir
- L-Acetylcysteine
- L-«alpha»-Acetamido-«beta»-mercaptopropionic acid
- Lysomucil
- Mercapturic acid
- Mercapturic acid, (R)-
- Muco sanigen
- Mucocedyl
- Mucofilin
- Mucolator
- Mucolyticum
- Mucolyticum Lappe
- Mucolytikum Lappe
- Mucomyst
- Mucosolvin
- Mucret
- N-Acetyl-L-cysteine
- N-Acetylcysteine
- NAC
- NAC-TB
- NSC 111180
- Neo-fluimucil
- Parvolex
- Respaire
- Tixair
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | [32.10; 32.10] | kJ/mol |
|
| ΔfusH° | 32.10 | kJ/mol | Solubility studies on the system of trihexyl(tetradecyl)phosphonium bis[(trifluoromethyl)sulfonyl]amide) ionic liquid and pharmaceutical and bioactive compounds |
| ΔfusH° | 32.10 | kJ/mol | Solubilities of pharmaceutical and bioactive compounds in trihexyl(tetradecyl)phosphonium chloride ionic liquid |
| ΔvapH° | 90.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.495 | Crippen Calculated Property | |
| McVol | 116.650 | ml/mol | McGowan Calculated Property |
| Inp | [1547.00; 1547.00] |
|
|
| Inp | 1547.00 | NIST | |
| Inp | 1547.00 | NIST | |
| Tboil | 545.59 | K | Relay (1.0) Calculated Property |
| Tfus | 382.90 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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 | [162.75; 339.88] | 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 | 2.23010e+01 | |||
| Coefficient B | 6.11020e-01 | |||
| Coefficient C | -3.76300e-04 | |||
| Coefficient D | 8.28600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 162.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 195.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 223.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 248.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 270.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 289.18 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 305.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 318.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 330.36 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 339.88 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetylcysteine.
Mixtures
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
- Solubility of pharmaceutical compounds in ionic liquidsAna
- Solubility studies on the system of trihexyl(tetradecyl)phosphonium bis[(trifluoromethyl)sulfonyl]amide) ionic liquid and pharmaceutical and bioactive compounds
- Solubilities of pharmaceutical and bioactive compounds in trihexyl(tetradecyl)phosphonium chloride ionic liquid
- Experimental and computational study on the energetics of N-acetyl-L-cysteine
- 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
- Joback Method
- McGowan Method
- NIST Webbook
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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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