chempirical

Vinyl stearate

C20H38O2CAS 111-63-7310.52 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C20H38O2
Molar mass
310.52 g/mol
Exact mass
310.2872 Da
Density
0.8521 g/mL (at 30 °C)
Melting point
36.5–37 °C
Boiling point
167 °C
logP
6.93Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
17

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
111-63-7
SMILES
C=COC(=O)CCCCCCCCCCCCCCCCC
InChIKey
AFSIMBWBBOJPJG-UHFFFAOYSA-N
InChI
InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h4H,2-3,5-19H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Octadecanoic acid, ethenyl ester
  • Stearic acid, vinyl ester
  • Vinyl octadecanoate
  • NSC 20891
  • NSC 5641

Work with Vinyl stearate

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

Vinyl laurate2146-71-6100 % similar Vinyl decanoate4704-31-8100 % similar Vinyl hexanoate3050-69-996 % similar Divinyl adipate4074-90-274 % similar Vinyl butyrate123-20-672 % similar Dilauroyl peroxide105-74-860 % similar Allyl heptanoate142-19-860 % similar Decanoic anhydride2082-76-060 % similar

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

Same formula

Ethyl oleate111-62-6 9-Eicosenoic acid506-31-0 11-Eicosenoic acid5561-99-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook