Dinonyl 1,2-benzenedicarboxylate

C₂₆H₄₂O₄CAS 84-76-4418.62 g/mol

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Properties

Molecular formula: C₂₆H₄₂O₄
Molar mass: 418.62 g/mol
Exact mass: 418.3083 Da
Density: 0.972 g/mL (at 20 °C)
Melting point: below 25 °C
Boiling point: 413 °C
logP: 7.50Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 18

Identifiers

CAS number

84-76-4

SMILES

CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC

InChIKey

DROMNWUQASBTFM-UHFFFAOYSA-N

InChI

InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3

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

Names and synonyms

12 names

1,2-Benzenedicarboxylic acid, dinonyl ester
Bisoflex 91
Dinonyl phthalate
Di-n-nonyl phthalate
Unimoll DN
Bisoflex DNP
Dinonyl o-phthalate
Phthalic anhydride diester with Linevol 9
Synplast 9P-N
1,2-Dinonyl benzene-1,2-dicarboxylate
1,2-Benzenedicarboxylic acid, 1,2-dinonyl ester
Phthalic acid, dinonyl ester

Work with Dinonyl 1,2-benzenedicarboxylate

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 Diheptyl phthalate3648-21-3100 % similar Dihexyl phthalate84-75-3100 % 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

Same formula

Maxacalcitol103909-75-7

Elsewhere

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