chempirical

Dipentyl phthalate

C18H26O4CAS 131-18-0306.40 g/mol

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Ester

Properties

Molecular formula
C18H26O4
Molar mass
306.40 g/mol
Exact mass
306.1831 Da
Density
1.022 g/mL (at 20 °C)
Boiling point
342 °C
logP
4.38Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
10

Identifiers

CAS number
131-18-0
SMILES
CCCCCOC(=O)c1ccccc1C(=O)OCCCCC
InChIKey
IPKKHRVROFYTEK-UHFFFAOYSA-N
InChI
InChI=1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3

Weigh it out

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

Names and synonyms

11 names
  • 1,2-Benzenedicarboxylic acid, 1,2-dipentyl ester
  • Phthalic acid, dipentyl ester
  • 1,2-Benzenedicarboxylic acid, dipentyl ester
  • Amoil
  • Amyl phthalate
  • Diamyl phthalate
  • Di-n-amyl phthalate
  • Di-n-pentyl phthalate
  • Di-n-pentyl o-phthalate
  • NSC 4720
  • 1,2-Dipentyl benzene-1,2-dicarboxylate

Work with Dipentyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Di-N-octyl phthalate117-84-097 % similar Diheptyl phthalate3648-21-397 % similar Dihexyl phthalate84-75-397 % similar Dinonyl 1,2-benzenedicarboxylate84-76-497 % similar Didecyl phthalate84-77-597 % similar Dibutyl phthalate84-74-290 % similar Amyl salicylate2050-08-077 % similar Dipropyl phthalate131-16-877 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook