Cas no 52056-59-4 (Phosphoric acid, bis(2,2-dimethylpropyl) propyl ester)
52056-59-4 structure
Product Name:Phosphoric acid, bis(2,2-dimethylpropyl) propyl ester
CAS No:52056-59-4
MF:C13H29O4P
MW:280.340725660324
CID:360772
PubChem ID:71365834
Update Time:2025-04-19
Phosphoric acid, bis(2,2-dimethylpropyl) propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphoric acid, bis(2,2-dimethylpropyl) propyl ester
- bis(2,2-dimethylpropyl) propyl phosphate
- DTXSID10789218
- 52056-59-4
- SCHEMBL5908967
-
- Inchi： 1S/C13H29O4P/c1-8-9-15-18(14,16-10-12(2,3)4)17-11-13(5,6)7/h8-11H2,1-7H3
- InChI Key： XRKAHBZNOLXXLT-UHFFFAOYSA-N
- SMILES： P(=O)(OCCC)(OCC(C)(C)C)OCC(C)(C)C
Computed Properties
- Exact Mass: 280.18047
- Monoisotopic Mass: 280.18034640g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 254
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
Phosphoric acid, bis(2,2-dimethylpropyl) propyl ester Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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4. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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