chempirical

1-Chlorooctadecane

C18H37ClCAS 3386-33-2288.94 g/mol

Open in Covalent MOL file
Cl
Alkyl halide

Properties

Molecular formula
C18H37Cl
Molar mass
288.94 g/mol
Exact mass
288.2584 Da
Density
0.8289 g/mL (at 20 °C)
Melting point
28.6 °C
Boiling point
348 °C
logP
7.49Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
16

Identifiers

CAS number
3386-33-2
SMILES
CCCCCCCCCCCCCCCCCCCl
InChIKey
VUQPJRPDRDVQMN-UHFFFAOYSA-N
InChI
InChI=1S/C18H37Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Octadecane, 1-chloro-
  • Octadecyl chloride
  • n-Octadecyl chloride
  • NSC 5543
  • 1-Octadecyl chloride
  • C 18Cl

Work with 1-Chlorooctadecane

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-Chlorohexadecane4860-03-1100 % 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