- InChI
- InChI=1S/C16H34O2S/c1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3
- InChI Key
- TZPCGEVFZZYCIY-UHFFFAOYSA-N
- Formula
- C16H34O2S
- SMILES
- CCCCCCCCS(=O)(=O)CCCCCCCC
- Molecular Weight1
- 290.50
- CAS
- 7726-20-7
- Other Names
-
- dioctyl sulfone
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- 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 | 0.8635 | Relay (1.0) Calculated Property | |
| ΔfG° | -384.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -681.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.122 | Crippen Calculated Property | |
| McVol | 264.390 | ml/mol | McGowan Calculated Property |
| Pc | 1480.43 | kPa | Joback Calculated Property |
| Tboil | 624.25 | K | Relay (1.0) Calculated Property |
| Tc | 808.09 | K | Relay (1.0) Calculated Property |
| Tfus | [348.00; 352.00] | K |
|
| Tfus | 348.00 ± 3.00 | K | NIST |
| Tfus | 352.00 ± 4.00 | K | NIST |
| Vc | 0.999 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [709.72; 811.74] | J/mol×K | [613.26; 771.84] |
|
| Cp,gas | 709.72 | J/mol×K | 613.26 | Joback Calculated Property |
| Cp,gas | 728.63 | J/mol×K | 639.69 | Joback Calculated Property |
| Cp,gas | 746.76 | J/mol×K | 666.12 | Joback Calculated Property |
| Cp,gas | 764.12 | J/mol×K | 692.55 | Joback Calculated Property |
| Cp,gas | 780.73 | J/mol×K | 718.98 | Joback Calculated Property |
| Cp,gas | 796.60 | J/mol×K | 745.41 | Joback Calculated Property |
| Cp,gas | 811.74 | J/mol×K | 771.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 1,1'-sulfonylbis-.
Sources
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