- InChI
- InChI=1S/C17H36O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21(2,18)19/h3-17H2,1-2H3
- InChI Key
- FESYLDKBOOCXRD-UHFFFAOYSA-N
- Formula
- C17H36O3S
- SMILES
- CCCCCCCCCCCCCCCCOS(C)(=O)=O
- Molecular Weight1
- 320.54
- 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 | 0.9635 | Relay (1.0) Calculated Property | |
| ΔfG° | -481.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -869.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.444 | Crippen Calculated Property | |
| McVol | 284.350 | ml/mol | McGowan Calculated Property |
| Pc | 1359.63 | kPa | Joback Calculated Property |
| Tboil | 628.98 | K | Relay (1.0) Calculated Property |
| Tc | 813.88 | K | Relay (1.0) Calculated Property |
| Tfus | 308.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.110 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [427.53; 984.10] | 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 | 4.61750e+01 | |||
| Coefficient B | 1.58923e+00 | |||
| Coefficient C | -7.24400e-04 | |||
| Coefficient D | 7.31000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 427.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 520.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 605.99 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 682.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 751.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 812.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 866.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 912.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 951.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 984.10 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to HEXADECYL METHANESULFONATE.
Sources
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