Diethyl adipate
Properties
- Molecular formula
- C10H18O4
- Molar mass
- 202.25 g/mol
- Exact mass
- 202.1205 Da
- Density
- 1.0076 g/mL (at 20 °C)
- Melting point
- −19.8 °C
- Boiling point
- 245 °C
- Water solubility
- 4.23 g/L
- logP
- 1.67Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 7
Hazards
Not classified as hazardous under GHS by 95 ECHA notifiers. Aggregated from 95 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Identifiers
CAS number
141-28-6SMILES
CCOC(=O)CCCCC(=O)OCCInChIKey
VIZORQUEIQEFRT-UHFFFAOYSA-NInChI
InChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Hexanedioic acid, 1,6-diethyl ester
- Adipic acid, diethyl ester
- Hexanedioic acid, diethyl ester
- Ethyl adipate
- Ethyl δ-carboethoxyvalerate
- Diethyl hexanedioate
- NSC 19160
- NSC 3363
- Crodamol SE-LQ-(JP)
- 1,6-Diethyl hexanedioate
Reactions
Work with Diethyl 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
Diethyl sebacate110-40-795 % similar
Diethyl pimelate2050-20-695 % similar
Diethyl suberate2050-23-995 % similar
Diethyl azelate624-17-995 % similar
Diethyl glutarate818-38-295 % similar
Ethyl hexanoate123-66-083 % similar
Diethyl succinate123-25-180 % similar
Ethyl heptanoate106-30-979 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds