- InChI
- InChI=1S/C11H18OS/c1-2-3-4-5-6-7-10-8-9-11(13)12-10/h8H,2-7,9H2,1H3
- InChI Key
- NLGVCAHTJNYDCN-UHFFFAOYSA-N
- Formula
- C11H18OS
- SMILES
- CCCCCCCC1=CCC(=S)O1
- Molecular Weight1
- 198.32
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 111.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -160.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.59 | kJ/mol | Joback Calculated Property |
| log10WS | -4.61 | Crippen Calculated Property | |
| logPoct/wat | 3.978 | Crippen Calculated Property | |
| McVol | 168.610 | ml/mol | McGowan Calculated Property |
| Pc | 2537.93 | kPa | Joback Calculated Property |
| I | 2490.00 | NIST | |
| Tboil | 574.76 | K | Joback Calculated Property |
| Tc | 782.28 | K | Joback Calculated Property |
| Tfus | 332.39 | K | Joback Calculated Property |
| Vc | 0.638 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [405.42; 482.50] | J/mol×K | [574.76; 782.28] | 
|
| Cp,gas | 405.42 | J/mol×K | 574.76 | Joback Calculated Property |
| Cp,gas | 420.26 | J/mol×K | 609.35 | Joback Calculated Property |
| Cp,gas | 434.23 | J/mol×K | 643.93 | Joback Calculated Property |
| Cp,gas | 447.38 | J/mol×K | 678.52 | Joback Calculated Property |
| Cp,gas | 459.78 | J/mol×K | 713.11 | Joback Calculated Property |
| Cp,gas | 471.47 | J/mol×K | 747.69 | Joback Calculated Property |
| Cp,gas | 482.50 | J/mol×K | 782.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-heptyl-dihydrofuran-2(3H)-thione.
Sources
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