chempirical

Diisobutyl adipate

C14H26O4CAS 141-04-8258.36 g/mol

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Ester

Properties

Molecular formula
C14H26O4
Molar mass
258.36 g/mol
Exact mass
258.1831 Da
Density
0.9534 g/mL (at 19 °C)
Melting point
−20 °C
Boiling point
278–280 °C
logP
2.95Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
9

Identifiers

CAS number
141-04-8
SMILES
CC(C)COC(=O)CCCCC(=O)OCC(C)C
InChIKey
RDOFJDLLWVCMRU-UHFFFAOYSA-N
InChI
InChI=1S/C14H26O4/c1-11(2)9-17-13(15)7-5-6-8-14(16)18-10-12(3)4/h11-12H,5-10H2,1-4H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Hexanedioic acid, 1,6-bis(2-methylpropyl) ester
  • Adipic acid, diisobutyl ester
  • Hexanedioic acid, bis(2-methylpropyl) ester
  • DIBA
  • Ftaflex DIBA
  • Isobutyl adipate
  • Adipic acid bis(2-methylpropyl) ester
  • Adipic acid di-iso-butyl ester
  • Plasthall DIBA
  • Vinycizer 40
  • NSC 6343
  • KAK-DIBA
  • DI 4A
  • Rhodisolv DIB

Work with Diisobutyl adipate

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

Isobutyl hexanoate105-79-385 % similar Isobutyl butyrate539-90-273 % similar Isobutyl isovalerate589-59-365 % similar Isobutyl propionate540-42-163 % similar Isoamyl hexanoate2198-61-059 % similar Isoamyl octanoate2035-99-658 % similar Isoamyl laurate6309-51-958 % similar Isobutyl acetoacetate7779-75-157 % similar

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

Same formula

Dibutyl adipate105-99-7 Diethyl sebacate110-40-7 1,12-Dimethyl dodecanedioate1731-79-9 1,3-Diethyl 2-ethyl-2-(1-methylbutyl)propanedioate76-72-2 Diethyl ethylisoamylmalonate77-24-7 Tetradecanedioic acid821-38-5

Elsewhere

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