- InChI
- InChI=1S/C8H16O2S2/c1-5-11-7-3-10-4-8-12-6-2-9-1/h1-8H2
- InChI Key
- ANWGCVKFPKDUBI-UHFFFAOYSA-N
- Formula
- C8H16O2S2
- SMILES
- C1CSCCOCCSCCO1
- Molecular Weight1
- 208.35
- Other Names
-
- 4,10-Dioxa-1,7-dithiacyclododecane
- 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).
- Inp : Non-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 | 0.2829 | Relay (1.0) Calculated Property | |
| ΔfG° | -116.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -383.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.500 | Crippen Calculated Property | |
| McVol | 157.160 | ml/mol | McGowan Calculated Property |
| Pc | 3773.04 | kPa | Joback Calculated Property |
| Inp | [1681.00; 1757.00] |
|
|
| Inp | 1681.00 | NIST | |
| Inp | 1757.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1742.90 | NIST | |
| Tboil | 580.24 | K | Relay (1.0) Calculated Property |
| Tc | 816.43 | K | Relay (1.0) Calculated Property |
| Tfus | 323.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.499 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.26; 512.85] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.83700e+01 | |||
| Coefficient B | 8.77620e-01 | |||
| Coefficient C | -2.79000e-04 | |||
| Coefficient D | -5.74000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 189.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 244.65 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 295.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 341.95 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 383.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 420.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 451.45 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 477.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 498.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 512.85 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,7-Dioxa-4,10-dithiacyclododecane.
Sources
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