- InChI
- InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)
- InChI Key
- IZFHEQBZOYJLPK-UHFFFAOYSA-N
- Formula
- C8H16O2S2
- SMILES
- O=C(O)CCCCC(S)CCS
- Molecular Weight1
- 208.34
- CAS
- 462-20-4
- Other Names
-
- Dihydrolipoic acid
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8086 | Relay (1.0) Calculated Property | |
| ΔfG° | -192.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -525.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.250 | Crippen Calculated Property | |
| McVol | 163.720 | ml/mol | McGowan Calculated Property |
| Pc | 3480.65 | kPa | Joback Calculated Property |
| Tboil | 597.41 | K | Relay (1.0) Calculated Property |
| Tc | 833.07 | K | Relay (1.0) Calculated Property |
| Tfus | 313.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.545 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.51; 462.28] | J/mol×K | [653.77; 858.12] | 
|
| Cp,gas | 404.51 | J/mol×K | 653.77 | Joback Calculated Property |
| Cp,gas | 415.65 | J/mol×K | 687.83 | Joback Calculated Property |
| Cp,gas | 426.16 | J/mol×K | 721.89 | Joback Calculated Property |
| Cp,gas | 436.05 | J/mol×K | 755.95 | Joback Calculated Property |
| Cp,gas | 445.36 | J/mol×K | 790.00 | Joback Calculated Property |
| Cp,gas | 454.09 | J/mol×K | 824.06 | Joback Calculated Property |
| Cp,gas | 462.28 | J/mol×K | 858.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid, 6,8-dimercapto-.
Sources
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