Dibutyl P-octylphosphonate
Basic information
- CAS
5929-67-9- Standard SMILES
CCCCCCCCP(=O)(OCCCC)OCCCC- InChIKey
AKYZQUHZKDCACI-UHFFFAOYSA-N- Molecular formula
- C16H35O3P
- Average molar mass
- 306.42 g/mol
- Monoisotopic mass
- 306.23238197
Names & identifiers
- Preferred name
- Dibutyl P-octylphosphonate
- IUPAC
- 1-dibutoxyphosphoryloctane
- English name
- Octylphosphonic acid dibutyl ester
- Molecular formula
- C16H35O3P
- Molecular weight
- 306.42
Names & synonyms
5929-67-9Phosphonic acid, octyl-, dibutyl esterDTXSID90208013Dibutyl P-octylphosphonateRefChem:1083396DTXCID10130504Dibutyl octylphosphonateOctylphosphonic acid dibutyl esterDibutyl octanephosphonateBRN 17891314-04-00-03563 (Beilstein Handbook Reference)SCHEMBL8924586
Show more names
Phosphonic acid, P-octyl-, dibutyl ester
DB-327114
Database identifiers
- CAS
5929-67-9- PubChem CID
- 80034
- DTXSID
DTXSID90208013- Nikkaji
- J50.302I
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Surface tension
- 23.7 mN/m · 23.7mN/m at 298.15K
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Related reactions
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Compound notes
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