Phosphoric acid, butyl diethyl ester
Basic information
- CAS
2737-00-0- Standard SMILES
CCCCOP(=O)(OCC)OCC- InChIKey
DWSYMNWJOYKKCK-UHFFFAOYSA-N- Molecular formula
- C8H19O4P
- Average molar mass
- 210.21 g/mol
- Monoisotopic mass
- 210.10209608
Names & identifiers
- Preferred name
- Phosphoric acid, butyl diethyl ester
- IUPAC
- butyl diethyl phosphate
- English name
- 1-diethoxyphosphoryloxybutane
- Molecular formula
- C8H19O4P
- Molecular weight
- 210.21
Names & synonyms
2737-00-0Phosphoric acid, butyl diethyl esterDTXSID60181804RefChem:1095386DTXCID60104295Butyl diethyl phosphateButyl ethyl phosphateBRN 17074684-01-00-01529 (Beilstein Handbook Reference)SCHEMBL5751181-DIETHOXYPHOSPHORYLOXYBUTANEAKOS017343280
Show more names
phosphoric acid butyl ester diethyl ester
Database identifiers
- CAS
2737-00-0- PubChem CID
- 75956
- DTXSID
DTXSID60181804- Nikkaji
- J637.479D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 150
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
Physicochemical properties
- Boiling point
- 123 °C · 123 °C(Press: 15 Torr)
- Density
- 1.034 g/cm3 · 1.0340 g/cm3(Temp: 13 °C)
- refractive index
- 1.518 · 1.5180 (estimate)
- Water Solubility
- 15 g/L · 15g/L(25 ºC)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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