chempirical

Didecyl phthalate

C28H46O4CAS 84-77-5446.67 g/mol

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Ester

Properties

Molecular formula
C28H46O4
Molar mass
446.67 g/mol
Exact mass
446.3396 Da
Density
0.9675 g/mL (at 20 °C)
Melting point
below 25 °C
Boiling point
261 °C (at 5 Torr)
logP
8.28Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
20

Identifiers

CAS number
84-77-5
SMILES
CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC
InChIKey
PGIBJVOPLXHHGS-UHFFFAOYSA-N
InChI
InChI=1S/C28H46O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24-20-16-14-12-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3

Weigh it out

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

Names and synonyms

10 names
  • 1,2-Benzenedicarboxylic acid, 1,2-didecyl ester
  • Phthalic acid, didecyl ester
  • 1,2-Benzenedicarboxylic acid, didecyl ester
  • Di-n-decyl phthalate
  • Decyl phthalate
  • Vinycizer 105
  • Bis(n-decyl)phthalate
  • NSC 15319
  • DDP
  • Dicapryl phthalate

Work with Didecyl phthalate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Di-N-octyl phthalate117-84-0100 % similar Diheptyl phthalate3648-21-3100 % similar Dihexyl phthalate84-75-3100 % similar Dinonyl 1,2-benzenedicarboxylate84-76-4100 % similar Dipentyl phthalate131-18-097 % similar Dibutyl phthalate84-74-287 % similar Hexyl salicylate6259-76-378 % similar N-Octyl salicylate6969-49-978 % similar

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

Same formula

7-Methoxy-2,2-dimethylchroman-6-yl palmitate1105025-85-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook