- InChI
- InChI=1S/C12H24O4S2/c1-2-14-6-10-18-12-8-16-4-3-15-7-11-17-9-5-13-1/h1-12H2
- InChI Key
- LIQFCELSAWJXJN-UHFFFAOYSA-N
- Formula
- C12H24O4S2
- SMILES
- C1COCCSCCOCCOCCSCCO1
- Molecular Weight1
- 296.45
- CAS
- 296-39-9
- Other Names
-
- 1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane
- 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).
- 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 | 0.3627 | Relay (1.0) Calculated Property | |
| ΔfG° | -327.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -716.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.533 | Crippen Calculated Property | |
| McVol | 225.260 | ml/mol | McGowan Calculated Property |
| Pc | 2829.33 | kPa | Joback Calculated Property |
| Tboil | 673.17 | K | Relay (1.0) Calculated Property |
| Tc | 899.46 | K | Relay (1.0) Calculated Property |
| Tfus | 315.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.710 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [674.88; 776.94] | J/mol×K | [753.08; 1053.66] | 
|
| Cp,gas | 674.88 | J/mol×K | 753.08 | Joback Calculated Property |
| Cp,gas | 701.05 | J/mol×K | 803.18 | Joback Calculated Property |
| Cp,gas | 723.76 | J/mol×K | 853.27 | Joback Calculated Property |
| Cp,gas | 742.86 | J/mol×K | 903.37 | Joback Calculated Property |
| Cp,gas | 758.20 | J/mol×K | 953.47 | Joback Calculated Property |
| Cp,gas | 769.61 | J/mol×K | 1003.57 | Joback Calculated Property |
| Cp,gas | 776.94 | J/mol×K | 1053.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,7,13,16-Tetraoxa-1,10-dithiacyclooctadecane.
Sources
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