- InChI
- InChI=1S/C12H20OS/c1-2-3-4-5-6-7-8-11-9-10-12(14)13-11/h9H,2-8,10H2,1H3
- InChI Key
- FNNJWMAXWIIUGC-UHFFFAOYSA-N
- Formula
- C12H20OS
- SMILES
- CCCCCCCCC1=CCC(=S)O1
- Molecular Weight1
- 212.35
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | 0.5734 | Relay (... Calculated Property | |
| ΔfG° | 119.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -250.16 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 34.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.19 | kJ/mol | Relay (... Calculated Property |
| IE | 8.35 | eV | Relay (... Calculated Property |
| log10WS | -5.55 | Relay (... Calculated Property | |
| logPoct/wat | 4.369 | Crippen Calculated Property | |
| McVol | 182.700 | ml/mol | McGowan Calculated Property |
| Pc | 2309.17 | kPa | Joback Calculated Property |
| Inp | 1810.00 | NIST | |
| I | 2593.00 | NIST | |
| Tboil | 564.60 | K | Relay (... Calculated Property |
| Tc | 765.14 | K | Relay (... Calculated Property |
| Tfus | 294.72 | K | Relay (... Calculated Property |
| Vc | 0.669 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [454.31; 534.95] | J/mol×K | [597.64; 801.99] | 
|
| Cp,gas | 454.31 | J/mol×K | 597.64 | Joback Calculated Property |
| Cp,gas | 469.77 | J/mol×K | 631.70 | Joback Calculated Property |
| Cp,gas | 484.36 | J/mol×K | 665.76 | Joback Calculated Property |
| Cp,gas | 498.11 | J/mol×K | 699.81 | Joback Calculated Property |
| Cp,gas | 511.09 | J/mol×K | 733.87 | Joback Calculated Property |
| Cp,gas | 523.35 | J/mol×K | 767.93 | Joback Calculated Property |
| Cp,gas | 534.95 | J/mol×K | 801.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-octyl-dihydrofuran-2(3H)-thione.
Sources
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