- InChI
- InChI=1S/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
- InChI Key
- ODJQKYXPKWQWNK-UHFFFAOYSA-N
- Formula
- C6H10O4S
- SMILES
- O=C(O)CCSCCC(=O)O
- Molecular Weight1
- 178.21
- CAS
- 111-17-1
- Other Names
-
- Propanoic acid, 3,3'-thiobis-
- Propionic acid, 3,3'-thiodi-
- «beta»,«beta»'-Thiodipropionic acid
- Diethyl sulfide 2,2'-dicarboxylic acid
- Thiodihydracrylic acid
- Tyox A
- TDPA
- 3,3'-Thiodipropionic acid
- 4-Thiaheptanedioic acid
- 3,3'-Thiodipropanoic acid
- Bis(2-carboxyethyl) sulfide
- Kyselina «beta»,«beta»'-thiodipropionova
- Sulfide, bis(2-carboxyethyl)
- Kyselina 3,3-thiodipropionova
- 3,3'-Thiobis-propanoic acid
- NSC 8166
- 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 | 0.8392 | Relay (... Calculated Property | |
| ΔfG° | -498.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -792.75 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.10 | kJ/mol | Relay (... Calculated Property |
| IE | 9.55 | eV | Relay (... Calculated Property |
| log10WS | -0.20 | Relay (... Calculated Property | |
| logPoct/wat | 0.669 | Crippen Calculated Property | |
| McVol | 126.630 | ml/mol | McGowan Calculated Property |
| Pc | 4646.65 | kPa | Joback Calculated Property |
| Tboil | 568.71 | K | Relay (... Calculated Property |
| Tc | 811.61 | K | Relay (... Calculated Property |
| Tfus | 387.28 | K | Relay (... Calculated Property |
| Vc | 0.432 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [319.57; 355.71] | J/mol×K | [697.56; 885.64] | 
|
| Cp,gas | 319.57 | J/mol×K | 697.56 | Joback Calculated Property |
| Cp,gas | 326.61 | J/mol×K | 728.91 | Joback Calculated Property |
| Cp,gas | 333.23 | J/mol×K | 760.25 | Joback Calculated Property |
| Cp,gas | 339.45 | J/mol×K | 791.60 | Joback Calculated Property |
| Cp,gas | 345.26 | J/mol×K | 822.95 | Joback Calculated Property |
| Cp,gas | 350.68 | J/mol×K | 854.29 | Joback Calculated Property |
| Cp,gas | 355.71 | J/mol×K | 885.64 | Joback Calculated Property |
Similar Compounds
![1-Propanol, 3-[(2-hydroxyethyl)thio]-.](data:image/png;base64,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)
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