- InChI
- InChI=1S/C16H32O3S/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-20(17,18)19-16/h16H,2-15H2,1H3
- InChI Key
- QPGWMTLYKYBJSB-UHFFFAOYSA-N
- Formula
- C16H32O3S
- SMILES
- CCCCCCCCCCCCC1CCCS(=O)(=O)O1
- Molecular Weight1
- 304.49
- CAS
- 15224-88-1
- Other Names
-
- «delta»-Hexadecanesultone
- Hexadecyl 1,4-sultone
- Hexadecane-1-sulfonic acid, 4-hydroxy-, delta-sultone
- 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 | 0.8261 | Relay (1.0) Calculated Property | |
| ΔfG° | -439.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -816.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.19 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.806 | Crippen Calculated Property | |
| McVol | 259.400 | ml/mol | McGowan Calculated Property |
| Pc | 1699.10 | kPa | Joback Calculated Property |
| Tboil | 664.60 | K | Relay (1.0) Calculated Property |
| Tc | 854.28 | K | Relay (1.0) Calculated Property |
| Tfus | 307.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.981 | 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 | [374.19; 918.35] | 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 | -2.44790e+01 | |||
| Coefficient B | 1.69653e+00 | |||
| Coefficient C | -9.07000e-04 | |||
| Coefficient D | 1.53300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 374.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 468.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 554.06 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 629.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 697.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 755.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 806.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 850.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 887.69 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 918.35 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Oxathiane, 6-dodecyl-, 2,2-dioxide.
Sources
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