- InChI
- InChI=1S/C16H32O6S2/c1-5-19-9-13-23-15-11-21-7-3-18-4-8-22-12-16-24-14-10-20-6-2-17-1/h1-16H2
- InChI Key
- VBWOPQXSPKWFGR-UHFFFAOYSA-N
- Formula
- C16H32O6S2
- SMILES
- C1COCCSCCOCCOCCOCCSCCOCCO1
- Molecular Weight1
- 384.55
- CAS
- 297-13-2
- 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 | 0.4396 | Relay (1.0) Calculated Property | |
| ΔfG° | -538.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1049.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.566 | Crippen Calculated Property | |
| McVol | 293.360 | ml/mol | McGowan Calculated Property |
| Pc | 2200.01 | kPa | Joback Calculated Property |
| Tboil | 751.88 | K | Relay (1.0) Calculated Property |
| Tc | 977.27 | K | Relay (1.0) Calculated Property |
| Tfus | 301.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.917 | 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 | [369.71; 1025.01] | 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 | -2.78100e+01 | |||
| Coefficient B | 1.51042e+00 | |||
| Coefficient C | -1.01800e-04 | |||
| Coefficient D | -3.55800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 369.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 478.05 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 580.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 674.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 761.03 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 837.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 903.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 957.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 998.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1025.01 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 4,7,10,16,19,22-Hexaoxa-1,13-dithiacyclotetracosane.
Sources
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