chempirical

Dicyclohexyl phthalate

C20H26O4CAS 84-61-7330.42 g/mol

Open in Covalent MOL file
OOOO
Ester

Properties

Molecular formula
C20H26O4
Molar mass
330.42 g/mol
Exact mass
330.1831 Da
Density
1.383 g/mL (at 20 °C)
Melting point
66 °C
Boiling point
222–228 °C (at 4 Torr)
logP
4.67Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
84-61-7
SMILES
O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1
InChIKey
VOWAEIGWURALJQ-UHFFFAOYSA-N
InChI
InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2

Weigh it out

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

Names and synonyms

12 names
  • 1,2-Benzenedicarboxylic acid, 1,2-dicyclohexyl ester
  • Phthalic acid, dicyclohexyl ester
  • 1,2-Benzenedicarboxylic acid, dicyclohexyl ester
  • HF 191
  • Ergoplast FDC
  • Unimoll 66
  • Howflex CP
  • Morflex 150
  • Edenol DCHP
  • DCHP
  • NSC 6101
  • Uniplex 250

Work with Dicyclohexyl 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

Cyclohexyl anthranilate7779-16-076 % similar Diisopropyl phthalate605-45-853 % similar Phthalic anhydride85-44-948 % similar Butylphthalide6066-49-548 % similar Di-N-octyl phthalate117-84-045 % similar Diheptyl phthalate3648-21-345 % similar Dihexyl phthalate84-75-345 % similar Dinonyl 1,2-benzenedicarboxylate84-76-445 % similar

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

Same formula

Carnosol5957-80-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook