chempirical

Tripropyl phosphate

C9H21O4PCAS 513-08-6224.24 g/mol

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OPOOO
Phosphate

Properties

Molecular formula
C9H21O4P
Molar mass
224.24 g/mol
Exact mass
224.1177 Da
Density
0.9884 g/mL (at 40 °C)
Boiling point
252 °C
logP
3.37Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
9

Identifiers

CAS number
513-08-6
SMILES
CCCOP(=O)(OCCC)OCCC
InChIKey
RXPQRKFMDQNODS-UHFFFAOYSA-N
InChI
InChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3

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Names and synonyms

3 names
  • Phosphoric acid, tripropyl ester
  • Propyl phosphate ((PrO)3PO)
  • Tri-n-propyl phosphate

Work with Tripropyl phosphate

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

Tributyl phosphate126-73-871 % similar Tris(2-butoxyethyl) phosphate78-51-363 % similar Triethyl phosphate78-40-052 % similar Tris(2-chloroethyl) phosphate115-96-848 % similar Triisobutyl phosphate126-71-646 % similar Tris(2-ethylhexyl) phosphate78-42-243 % similar Tetraethyl pyrophosphate107-49-342 % similar Tris(2-chloropropyl) phosphate6145-73-941 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook