chempirical

Heptanoyl chloride

C7H13ClOCAS 2528-61-2148.63 g/mol

Open in Covalent MOL file
OCl
Acyl halide

Properties

Molecular formula
C7H13ClO
Molar mass
148.63 g/mol
Exact mass
148.0655 Da
Density
0.9665 g/mL (at 15 °C)
Melting point
−83.8 °C
Boiling point
145 °C
logP
2.72Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Identifiers

CAS number
2528-61-2
SMILES
CCCCCCC(=O)Cl
InChIKey
UCVODTZQZHMTPN-UHFFFAOYSA-N
InChI
InChI=1S/C7H13ClO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Enanthoyl chloride
  • n-Heptanoyl chloride
  • Enanthyl chloride
  • Heptanoic acid chloride

Work with Heptanoyl chloride

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

Octanoyl chloride111-64-8100 % similar Decanoyl chloride112-13-0100 % similar Lauroyl chloride112-16-3100 % similar Tetradecanoyl chloride112-64-1100 % similar Palmitoyl chloride112-67-4100 % similar Stearoyl chloride112-76-5100 % similar Undecanoyl chloride17746-05-3100 % similar Nonanoyl chloride764-85-2100 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia