- InChI
- InChI=1S/C16H33ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3
- InChI Key
- YOSVFFVBSPQTTP-UHFFFAOYSA-N
- Formula
- C16H33ClO2S
- SMILES
- CCCCCCCCCCCCCCCCS(=O)(=O)Cl
- Molecular Weight1
- 324.95
- CAS
- 38775-38-1
- Other Names
-
- 1-Hexadecanesulphonyl chloride
- Hexadecylsulfonyl chloride
- Sulfonyl chloride, 1-hexadecane-
- hexadecane-1-sulphonyl chloride
- n-Hexadecane sulfonyl chloride
- 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 | 0.9158 | Relay (1.0) Calculated Property | |
| ΔfG° | -396.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -720.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.036 | Crippen Calculated Property | |
| McVol | 276.630 | ml/mol | McGowan Calculated Property |
| Pc | 1439.16 | kPa | Joback Calculated Property |
| Tboil | 609.79 | K | Relay (1.0) Calculated Property |
| Tc | 823.13 | K | Relay (1.0) Calculated Property |
| Tfus | 330.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 1.060 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.32; 922.29] | 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 | 3.44750e+01 | |||
| Coefficient B | 1.56421e+00 | |||
| Coefficient C | -8.01400e-04 | |||
| Coefficient D | 1.25000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 404.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 493.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 573.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 644.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 708.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 764.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 813.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 856.28 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 892.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 922.28 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexadecanesulfonyl chloride.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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