chempirical

Diheptyl phthalate

C22H34O4CAS 3648-21-3362.51 g/mol

Open in Covalent MOL file
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Ester

Properties

Molecular formula
C22H34O4
Molar mass
362.51 g/mol
Exact mass
362.2457 Da
Density
0.99 g/mL
Melting point
below 40 °C
Boiling point
360 °C
logP
5.94Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
14

Identifiers

CAS number
3648-21-3
SMILES
CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC
InChIKey
JQCXWCOOWVGKMT-UHFFFAOYSA-N
InChI
InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • 1,2-Benzenedicarboxylic acid, 1,2-diheptyl ester
  • Phthalic acid, diheptyl ester
  • 1,2-Benzenedicarboxylic acid, diheptyl ester
  • Heptyl phthalate
  • Di-n-heptyl phthalate
  • Sansocizer DHP
  • Bis-heptyl phthalate

Work with Diheptyl 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 phthalate117-84-0100 % similar Dihexyl phthalate84-75-3100 % similar Dinonyl 1,2-benzenedicarboxylate84-76-4100 % similar Didecyl phthalate84-77-5100 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook