- 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
- CAS
- 1077-28-7
- 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).
- 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° | -132.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.71 | kJ/mol | Joback Calculated Property |
| log10WS | -3.03 | Crippen Calculated Property | |
| logPoct/wat | 2.785 | Crippen Calculated Property | |
| McVol | 152.860 | ml/mol | McGowan Calculated Property |
| Pc | 3615.89 | kPa | Joback Calculated Property |
| Tboil | 639.43 | K | Joback Calculated Property |
| Tc | 852.77 | K | Joback Calculated Property |
| Tfus | 468.47 | K | Joback Calculated Property |
| Vc | 0.541 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [383.01; 445.22] | J/mol×K | [639.43; 852.77] | 
|
| Cp,gas | 383.01 | J/mol×K | 639.43 | Joback Calculated Property |
| Cp,gas | 395.15 | J/mol×K | 674.99 | Joback Calculated Property |
| Cp,gas | 406.53 | J/mol×K | 710.54 | Joback Calculated Property |
| Cp,gas | 417.19 | J/mol×K | 746.10 | Joback Calculated Property |
| Cp,gas | 427.16 | J/mol×K | 781.66 | Joback Calculated Property |
| Cp,gas | 436.49 | J/mol×K | 817.21 | Joback Calculated Property |
| Cp,gas | 445.22 | J/mol×K | 852.77 | 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
- 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
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