- InChI
- InChI=1S/C12H24O2S4/c1-5-15-9-10-17-7-3-14-4-8-18-12-11-16-6-2-13-1/h1-12H2
- InChI Key
- BFVXNKXLPBNMQI-UHFFFAOYSA-N
- Formula
- C12H24O2S4
- SMILES
- C1CSCCSCCOCCSCCSCCO1
- Molecular Weight1
- 328.59
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2977 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -467.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.966 | Crippen Calculated Property | |
| McVol | 246.220 | ml/mol | McGowan Calculated Property |
| Pc | 2847.48 | kPa | Joback Calculated Property |
| Inp | 2833.00 | NIST | |
| Tboil | 699.96 | K | Relay (1.0) Calculated Property |
| Tc | 946.94 | K | Relay (1.0) Calculated Property |
| Tfus | 366.27 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [709.99; 795.53] | J/mol×K | [794.84; 1128.42] | 
|
| Cp,gas | 709.99 | J/mol×K | 794.84 | Joback Calculated Property |
| Cp,gas | 735.55 | J/mol×K | 850.44 | Joback Calculated Property |
| Cp,gas | 756.83 | J/mol×K | 906.03 | Joback Calculated Property |
| Cp,gas | 773.64 | J/mol×K | 961.63 | Joback Calculated Property |
| Cp,gas | 785.82 | J/mol×K | 1017.23 | Joback Calculated Property |
| Cp,gas | 793.17 | J/mol×K | 1072.83 | Joback Calculated Property |
| Cp,gas | 795.53 | J/mol×K | 1128.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,10-Dioxa-4,7,13,16-tetrathiacyclooctadecane.
Sources
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