- InChI
- InChI=1S/C4H10S3/c5-1-3-7-4-2-6/h5-6H,1-4H2
- InChI Key
- KSJBMDCFYZKAFH-UHFFFAOYSA-N
- Formula
- C4H10S3
- SMILES
- SCCSCCS
- Molecular Weight1
- 154.32
- CAS
- 3570-55-6
- Other Names
-
- Ethanethiol, 2,2'-thiodi-
- Bis(mercaptoethyl) sulfide
- Bis(2-mercaptoethyl) sulfide
- TDT
- 1-Mercapto-2-(mercaptoethylthio)ethane
- 2-Mercaptoethyl sulfide
- 2,2'-Dimercaptodiethyl sulfide
- 2,2'-Thiodiethanethiol
- 3-Thia-1,5-pentanedithiol
- «beta»,«beta»'-Dimercaptoethyl sulfide
- Bis(«beta»-mercaptoethyl) sulfide
- 1,5-Dimercapto-3-thiapentane
- Bis(2-sulfanylethyl) sulfide
- NSC 4766
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4539 | Relay (1.0) Calculated Property | |
| ΔfG° | 74.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -55.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.579 | Crippen Calculated Property | |
| McVol | 116.270 | ml/mol | McGowan Calculated Property |
| Pc | 4710.65 | kPa | Joback Calculated Property |
| Tboil | 524.36 | K | Relay (1.0) Calculated Property |
| Tc | 785.66 | K | Relay (1.0) Calculated Property |
| Tfus | 241.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.380 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [214.26; 266.49] | J/mol×K | [485.42; 729.25] | 
|
| Cp,gas | 214.26 | J/mol×K | 485.42 | Joback Calculated Property |
| Cp,gas | 224.31 | J/mol×K | 526.06 | Joback Calculated Property |
| Cp,gas | 233.82 | J/mol×K | 566.70 | Joback Calculated Property |
| Cp,gas | 242.78 | J/mol×K | 607.34 | Joback Calculated Property |
| Cp,gas | 251.21 | J/mol×K | 647.97 | Joback Calculated Property |
| Cp,gas | 259.11 | J/mol×K | 688.61 | Joback Calculated Property |
| Cp,gas | 266.49 | J/mol×K | 729.25 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 408.70 | K | 1.30 | NIST |
Similar Compounds
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Find more compounds similar to Ethanethiol, 2,2'-thiobis-.
Sources
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