- InChI
- InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)
- InChI Key
- AGBQKNBQESQNJD-UHFFFAOYSA-N
- Formula
- C8H14O2S2
- SMILES
- O=C(O)CCCCC1CCSS1
- Molecular Weight1
- 206.33
- Other Names
-
- (.+/-.)-Lipoic acid
- 1,2-Dithiolane-3-pentanoic acid, (.+/-.)-
- 1,2-Dithiolane-3-valeric acid, (.+/-.)-
- 1,2-dithiolane-3-pentanoic acid
- 1,2-dithiolane-3-valeric acid
- 5-(1,2-Dithiolan-3-yl)valeric acid
- 5-(1,2-dithiolan-3-yl)pentanoic acid
- 5-(dithiolan-3-yl)valeric acid
- DL-1,2-Dithiolan-3-valeriansaeure
- DL-1,2-Dithiolane 3-valeric acid
- DL-6-Thioctic acid
- NSC 628502
- NSC 90788
- Thioctic acid, dl-form
- Thiooctic acid
- dl-1,2-Dithiolane-3-pentanoic acid
- dl-6,8-Thioctic acid
- dl-Lipoic acid
- dl-Thioctic acid
- dl-«alpha»-Lipoic acid
- «alpha»-Lipoic acid
- 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).
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 27.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.76 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -1.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.785 | Crippen Calculated Property | |
| McVol | 152.860 | ml/mol | McGowan Calculated Property |
| Pc | 3345.11 | kPa | Joback Calculated Property |
| Tfus | 344.20 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 | [385.71; 452.80] | J/mol×K | [639.09; 873.48] | 
|
| Cp,gas | 385.71 | J/mol×K | 639.09 | Joback Calculated Property |
| Cp,gas | 399.02 | J/mol×K | 678.16 | Joback Calculated Property |
| Cp,gas | 411.39 | J/mol×K | 717.22 | Joback Calculated Property |
| Cp,gas | 422.90 | J/mol×K | 756.29 | Joback Calculated Property |
| Cp,gas | 433.60 | J/mol×K | 795.35 | Joback Calculated Property |
| Cp,gas | 443.54 | J/mol×K | 834.42 | Joback Calculated Property |
| Cp,gas | 452.80 | J/mol×K | 873.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thioctic acid.
Mixtures
- Thioctic acid + Cyclohexane
- Thioctic acid + Ethyl Acetate + Cyclohexane
- Thioctic acid + Heptane + Ethyl Acetate
- n-Hexane + Thioctic acid + Ethyl Acetate
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Solubility of 5-(Dithiolan-3-yl)pentanoic Acid in the Mixed Solvents of Cyclohexane + Ethyl Acetate, Heptane + Ethyl Acetate, and Hexane + Ethyl Acetate
- 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.
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