chempirical

1-Chlorohexadecane

C16H33ClCAS 4860-03-1260.89 g/mol

Open in Covalent MOL file
Cl
Alkyl halide

Properties

Molecular formula
C16H33Cl
Molar mass
260.89 g/mol
Exact mass
260.2271 Da
Density
0.8384 g/mL (at 20 °C)
Melting point
17.9 °C
Boiling point
322 °C
logP
6.71Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
14

Identifiers

CAS number
4860-03-1
SMILES
CCCCCCCCCCCCCCCCCl
InChIKey
CLWAXFZCVYJLLM-UHFFFAOYSA-N
InChI
InChI=1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • Hexadecane, 1-chloro-
  • Cetyl chloride
  • Hexadecyl chloride
  • Palmityl chloride
  • 1-Hexadecyl chloride
  • NSC 43727
  • NSC 57106
  • n-Hexadecyl chloride

Work with 1-Chlorohexadecane

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

1-Chlorodecane1002-69-3100 % similar 1-Chlorooctane111-85-3100 % similar 1-Chlorododecane112-52-7100 % similar 1-Chlorotetradecane2425-54-9100 % similar 1-Chlorononane2473-01-0100 % similar 1-Chlorooctadecane3386-33-2100 % similar 1-Chlorohexane544-10-5100 % similar 1-Chloroheptane629-06-1100 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook