Vinyl hexanoate
Properties
- Molecular formula
- C8H14O2
- Molar mass
- 142.20 g/mol
- Exact mass
- 142.0994 Da
- Density
- 0.8995 g/mL (at 20 °C)
- Boiling point
- 165–167 °C
- logP
- 2.25Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 5
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
Aggregated from 105 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501
Identifiers
CAS number
3050-69-9SMILES
C=COC(=O)CCCCCInChIKey
LZWYWAIOTBEZFN-UHFFFAOYSA-NInChI
InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h4H,2-3,5-7H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Hexanoic acid, ethenyl ester
- Hexanoic acid, vinyl ester
- Vinyl caproate
- Vinyl hexoate
- Caproic acid vinyl ester
- Vinyl n-hexanoate
- NSC 32629
Work with Vinyl hexanoate
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 stearate111-63-796 % similar
Vinyl laurate2146-71-696 % similar
Vinyl decanoate4704-31-896 % similar
Divinyl adipate4074-90-277 % similar
Vinyl butyrate123-20-675 % similar
Allyl hexanoate123-68-259 % similar
n-Caproic anhydride2051-49-259 % similar
Allyl heptanoate142-19-857 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.