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| CAS No.: | 120519-47-3 |
|---|---|
| Name: | Octadecane-1-sulfonic acid |
| Molecular Structure: | |
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| Formula: | C18H38O3S |
| Molecular Weight: | 334.55792 |
| Synonyms: | octadecane-1-sulfonic acid |
| Density: | 0.972 g/cm3 |
| PSA: | 0.00000 |
| LogP: | 0.00000 |
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Specification
The CAS register number of Octadecane-1-sulfonic acid is 120519-47-3. The molecular formula about this chemical is C18H38O3S and the molecular weight is 334.55792.
Physical properties about Octadecane-1-sulfonic acid are: (1)ACD/LogP: 7.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.87; (4)ACD/LogD (pH 7.4): 3.65; (5)ACD/BCF (pH 5.5): 84.55; (6)ACD/BCF (pH 7.4): 50.32; (7)ACD/KOC (pH 5.5): 98.04; (8)ACD/KOC (pH 7.4): 58.35; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 51.75 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 95.74 cm3; (15)Molar Volume: 344.1 cm3; (16)Polarizability: 37.95x10-24cm3; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 0.972 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)CCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C18H38O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3,(H,19,20,21)
(3)InChIKey: CACRRXGTWZXOAU-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C18H38O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3,(H,19,20,21)
(5)Std. InChIKey: CACRRXGTWZXOAU-UHFFFAOYSA-N