- InChI
- InChI=1S/C8H16O3S/c1-3-10-5-7-12-8-6-11-4-2-9-1/h1-8H2
- InChI Key
- JMPKDBRUIAOFAO-UHFFFAOYSA-N
- Formula
- C8H16O3S
- SMILES
- C1COCCSCCOCCO1
- Molecular Weight1
- 192.28
- CAS
- 294-94-0
- 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 | 0.3112 | Relay (1.0) Calculated Property | |
| ΔfG° | -242.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -497.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.783 | Crippen Calculated Property | |
| McVol | 146.680 | ml/mol | McGowan Calculated Property |
| Pc | 3759.17 | kPa | Joback Calculated Property |
| Tboil | 558.22 | K | Relay (1.0) Calculated Property |
| Tc | 791.36 | K | Relay (1.0) Calculated Property |
| Tfus | 287.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.490 | 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 | [182.08; 506.04] | 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 | -3.28700e+01 | |||
| Coefficient B | 8.60210e-01 | |||
| Coefficient C | -2.46400e-04 | |||
| Coefficient D | -7.49000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 182.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 237.30 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 288.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 334.74 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 376.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 413.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 444.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 471.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 491.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 506.04 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 4,7,10-Trioxa-1-thiacyclododecane.
Sources
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