Cas no 513-17-7 (barium dimethyl bis(sulphate))
barium dimethyl bis(sulphate) structure
Product Name:barium dimethyl bis(sulphate)
CAS No:513-17-7
MF:C2H6BaO8S2
MW:359.521234989166
CID:1571342
PubChem ID:44135777
Update Time:2025-04-21
barium dimethyl bis(sulphate) Chemical and Physical Properties
Names and Identifiers
-
- barium dimethyl bis(sulphate)
- barium(2+),methyl sulfate
- UNII-20H3YQI462
- 20H3YQI462
- 513-17-7
- Q27253462
- Sulfuric acid, monomethyl ester, barium salt (2:1)
- BARIUM METHYL SULFATE
- Methyl sulfate barium salt [MI]
-
- Inchi： 1S/2CH4O4S.Ba/c2*1-5-6(2,3)4;/h2*1H3,(H,2,3,4);/q;;+2/p-2
- InChI Key： RHZMFDFIRNVBEP-UHFFFAOYSA-L
- SMILES： [Ba+2].S(=O)(=O)([O-])OC.S(=O)(=O)([O-])OC
Computed Properties
- Exact Mass: 351.85638
- Monoisotopic Mass: 359.855657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 90.7
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 150?2
Experimental Properties
- PSA: 132.86
barium dimethyl bis(sulphate) Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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