- 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
- 320.53
- CAS
- 20779-14-0
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -481.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -979.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.48 | kJ/mol | Joback Calculated Property |
| log10WS | -5.85 | Crippen 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 | 658.56 | K | Joback Calculated Property |
| Tc | 819.18 | K | Joback Calculated Property |
| Tfus | 342.14 | K | Joback Calculated Property |
| Vc | 1.131 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [799.48; 902.11] | J/mol×K | [658.56; 819.18] | 
|
| Cp,gas | 799.48 | J/mol×K | 658.56 | Joback Calculated Property |
| Cp,gas | 818.62 | J/mol×K | 685.33 | Joback Calculated Property |
| Cp,gas | 836.93 | J/mol×K | 712.10 | Joback Calculated Property |
| Cp,gas | 854.43 | J/mol×K | 738.87 | Joback Calculated Property |
| Cp,gas | 871.12 | J/mol×K | 765.64 | Joback Calculated Property |
| Cp,gas | 887.01 | J/mol×K | 792.41 | Joback Calculated Property |
| Cp,gas | 902.11 | J/mol×K | 819.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecyl methanesulfonate.
Sources
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