Dioctyl phenylphosphonate

C₂₂H₃₉O₃PCAS 1754-47-8382.52 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₂H₃₉O₃P
Molar mass: 382.52 g/mol
Exact mass: 382.2637 Da
Boiling point: 207 °C
logP: 7.26Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 17

Identifiers

CAS number

1754-47-8

SMILES

CCCCCCCCOP(=O)(OCCCCCCCC)c1ccccc1

InChIKey

HAKMAMKAFTZXOZ-UHFFFAOYSA-N

InChI

InChI=1S/C22H39O3P/c1-3-5-7-9-11-16-20-24-26(23,22-18-14-13-15-19-22)25-21-17-12-10-8-6-4-2/h13-15,18-19H,3-12,16-17,20-21H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Phosphonic acid, P-phenyl-, dioctyl ester
Phosphonic acid, phenyl-, dioctyl ester
Di-n-octyl phenylphosphonate
DOPP
NSC 3224

Work with Dioctyl phenylphosphonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Hexyl benzoate6789-88-446 % similar Octyl benzoate94-50-846 % similar Dicetyl phosphate2197-63-946 % similar Monolauryl phosphate2627-35-246 % similar Dimethyl P-phenylphosphonate2240-41-746 % similar Decylbenzene104-72-344 % similar Hexylbenzene1077-16-344 % similar Heptylbenzene1078-71-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Di-2-Ethylhexyl phenyl phosphite3164-60-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook