Diethyl sebacate
Properties
- Molecular formula
- C14H26O4
- Molar mass
- 258.36 g/mol
- Exact mass
- 258.1831 Da
- Density
- 0.96–0.965 g/mL
- Melting point
- 5 °C
- Boiling point
- 305 °C
- logP
- 3.23Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 11
Hazards
- H411 Toxic to aquatic life with long lasting effects94.8% of notifiers
Aggregated from 1,462 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P273, P391, P501
Identifiers
CAS number
110-40-7SMILES
CCOC(=O)CCCCCCCCC(=O)OCCInChIKey
ONKUXPIBXRRIDU-UHFFFAOYSA-NInChI
InChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Decanedioic acid, 1,10-diethyl ester
- Sebacic acid, diethyl ester
- Decanedioic acid, diethyl ester
- Bisoflex DES
- Diethyl decanedioate
- Diethyl 1,10-decanedioate
- Ethyl sebacate
- SDE
- NSC 8911
- Nikkol DES-SP
Work with Diethyl sebacate
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
Diethyl pimelate2050-20-6100 % similar
Diethyl suberate2050-23-9100 % similar
Diethyl azelate624-17-9100 % similar
Diethyl adipate141-28-695 % similar
Diethyl glutarate818-38-290 % similar
Ethyl heptanoate106-30-983 % similar
Ethyl octanoate106-32-183 % similar
Ethyl dodecanoate106-33-283 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.