- InChI
- InChI=1S/C6H12O2S/c1-2-9-5-3-4-6(7)8/h2-5H2,1H3,(H,7,8)
- InChI Key
- DBNZPPFTPCELJG-UHFFFAOYSA-N
- Formula
- C6H12O2S
- SMILES
- CCSCCCC(=O)O
- Molecular Weight1
- 148.22
- CAS
- 71057-15-3
- 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 | 0.6710 | Relay (1.0) Calculated Property | |
| ΔfG° | -311.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -482.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.604 | Crippen Calculated Property | |
| McVol | 119.190 | ml/mol | McGowan Calculated Property |
| Pc | 3509.58 | kPa | Joback Calculated Property |
| Tboil | 532.65 | K | Relay (1.0) Calculated Property |
| Tc | 735.65 | K | Relay (1.0) Calculated Property |
| Tfus | 281.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.423 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.19; 325.08] | J/mol×K | [551.17; 759.48] | 
|
| Cp,gas | 271.19 | J/mol×K | 551.17 | Joback Calculated Property |
| Cp,gas | 281.50 | J/mol×K | 585.89 | Joback Calculated Property |
| Cp,gas | 291.25 | J/mol×K | 620.61 | Joback Calculated Property |
| Cp,gas | 300.47 | J/mol×K | 655.32 | Joback Calculated Property |
| Cp,gas | 309.18 | J/mol×K | 690.04 | Joback Calculated Property |
| Cp,gas | 317.37 | J/mol×K | 724.76 | Joback Calculated Property |
| Cp,gas | 325.08 | J/mol×K | 759.48 | Joback Calculated Property |
Similar Compounds
![Ethanol, 2,2'-[1,4-butanediylbis(thio)]bis-.](data:image/png;base64,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)
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Sources
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