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CAS No.: | 15015-81-3 |
---|---|
Name: | 1-HEXADECANESULFONIC ACID SODIUM SALT |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C16H34O3SNa |
Molecular Weight: | 328.492 |
Synonyms: | 1-Hexadecanesulfonicacid, sodium salt (7CI,8CI,9CI);Sodium 1-hexadecanesulfonate;Sodiumcetylsulfonate;Sodium hexadecanesulfonate;Sodium hexadecylsulfonate;Sodiumn-hexadecanesulfonate; |
EINECS: | 228-128-4 |
Melting Point: | 265 °C |
Solubility: | Slightly soluble in water |
Appearance: | white to off-white flakes or powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-36/37/39-27 |
PSA: | 65.58000 |
LogP: | 6.09370 |
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The 1-Hexadecanesulfonicacid, sodium salt is an organic compound with the formula C16H34O3SNa. The IUPAC name of this chemical is Sodium hexadecane-1-sulfonate. With the CAS registry number 15015-81-3, it is also named as Hexadecane-1-sulfonic acid. Besides, it should be stored in a cool, sealed, dry, well-ventilated, lightproof place. It can be used as pigment and adhesive dispersing agent.
Physical properties about 1-Hexadecanesulfonicacid, sodium salt are: (1)ACD/LogP: 6.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 13.17; (6)ACD/BCF (pH 7.4): 7.84; (7)ACD/KOC (pH 5.5): 25.9; (8)ACD/KOC (pH 7.4): 15.41; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 51.75 Å2; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 86.48 cm3; (15)Molar Volume: 311.1 cm3; (16)Polarizability: 34.28×10-24 cm3; (17)Surface Tension: 37.2 dyne/cm; (18)Density: 0.984 g/cm3.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C16H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H,17,18,19)
(2)InChIKey: SSILHZFTFWOUJR-UHFFFAOYAN
(3)Std. InChI: InChI=1S/C16H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H,17,18,19)
(4)Std. InChIKey: SSILHZFTFWOUJR-UHFFFAOYSA-N